diff --git a/Cantera/PFR/outlet_concentrations/PFR.ipynb b/Cantera/PFR/outlet_concentrations/PFR.ipynb
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+++ b/Cantera/PFR/outlet_concentrations/PFR.ipynb
@@ -0,0 +1,6237 @@
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+ "execution_count": 26,
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+ "text": [
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+ ],
+ "text/plain": [
+ ""
+ ]
+ },
+ "metadata": {},
+ "output_type": "display_data"
+ },
+ {
+ "data": {
+ "image/svg+xml": [
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+ ],
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+ },
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+ },
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+ ],
+ "text/plain": [
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+ },
+ "metadata": {},
+ "output_type": "display_data"
+ }
+ ],
+ "source": [
+ "#simulating mol frac vs T:\n",
+ "#specie dict label: {exp specie label : sim specie label}\n",
+ "specie_label_dict = {\n",
+ " \"2-furfuryl alcohol\" :\"furfuryl(1)\",\n",
+ " \"H2O\" : \"H2O(9)\",\n",
+ " \"CO\" : \"CO(49)\",\n",
+ " \"C4H4\" : \"VA(30)\",#vinyl acetylene /but-1-en-3-yne\n",
+ " #\"C2H4\" : \"C2H4(30)\",\n",
+ "\t# \"furan\" : \"C5H5O(48)\",\n",
+ "\t# \"CH2O\": \"CH2O(98)\",\n",
+ "\t# \"C2H2O\":\"C2H2O(81)\",\n",
+ "\t# \"CH4\":\"CH4(73)\",\n",
+ "\t# \"vinylketene\":\"C4H4O(45)\",\n",
+ "}\n",
+ "\n",
+ "for specie in specie_label_dict.keys():\n",
+ " plt.figure()\n",
+ " exp_mol_frac = list(df_last_molfrac_exp[specie])\n",
+ " sim_mol_frac =[]\n",
+ " for T in T_range:\n",
+ " exp_specie_name=specie_label_dict[specie]\n",
+ " sim_mol_frac.append(outlet_conc_dict[T][exp_specie_name])\n",
+ "\n",
+ " if semi_log_y:\n",
+ " plt.semilogy(T_range, sim_mol_frac, \"ko\", label = \"simulation\")\n",
+ " plt.semilogy(T_exp_range, exp_mol_frac,\"bo\",label = \"experiment\")\n",
+ " else:\n",
+ " plt.plot(T_range, sim_mol_frac, \"ko\", label = \"simulation\")\n",
+ " plt.plot(T_exp_range, exp_mol_frac,\"bo\",label = \"experiment\")\n",
+ "\n",
+ " plt.xlabel(\"Temperature (K)\")\n",
+ " plt.ylabel('Mol fraction')\n",
+ " plt.legend(loc=(1.01,.35)) #locate legend outside plot\n",
+ " plt.title(specie)\n",
+ " if figure_name:\n",
+ " plt.savefig(figure_name+\"_\"+specie+\".jpg\", dpi=300, format='jpg')\n",
+ " plt.show()"
+ ]
+ }
+ ],
+ "metadata": {
+ "kernelspec": {
+ "display_name": "Python 3 (ipykernel)",
+ "language": "python",
+ "name": "python3"
+ },
+ "language_info": {
+ "codemirror_mode": {
+ "name": "ipython",
+ "version": 3
+ },
+ "file_extension": ".py",
+ "mimetype": "text/x-python",
+ "name": "python",
+ "nbconvert_exporter": "python",
+ "pygments_lexer": "ipython3",
+ "version": "3.10.12"
+ }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/Cantera/PFR/outlet_concentrations/files/PFR_mol_frac_2-furfuryl alcohol.jpg b/Cantera/PFR/outlet_concentrations/files/PFR_mol_frac_2-furfuryl alcohol.jpg
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index 0000000..503a3ef
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diff --git a/Cantera/PFR/outlet_concentrations/files/PFR_mol_frac_C4H4.jpg b/Cantera/PFR/outlet_concentrations/files/PFR_mol_frac_C4H4.jpg
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index 0000000..3d327d1
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diff --git a/Cantera/PFR/outlet_concentrations/files/PFR_mol_frac_CO.jpg b/Cantera/PFR/outlet_concentrations/files/PFR_mol_frac_CO.jpg
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index 0000000..da2936a
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diff --git a/Cantera/PFR/outlet_concentrations/files/PFR_mol_frac_H2O.jpg b/Cantera/PFR/outlet_concentrations/files/PFR_mol_frac_H2O.jpg
new file mode 100644
index 0000000..2521da2
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diff --git a/Cantera/PFR/outlet_concentrations/files/output.yaml b/Cantera/PFR/outlet_concentrations/files/output.yaml
new file mode 100755
index 0000000..1f80bb7
--- /dev/null
+++ b/Cantera/PFR/outlet_concentrations/files/output.yaml
@@ -0,0 +1,7416 @@
+generator: ck2yaml
+input-files: [chem_annotated.inp, tran.dat]
+cantera-version: 2.6.0
+date: Thu, 09 Nov 2023 10:20:30 +0200
+
+units: {length: cm, time: s, quantity: mol, activation-energy: kcal/mol}
+
+phases:
+- name: gas
+ thermo: ideal-gas
+ elements: [H, D, T, C, Ci, O, Oi, N, Ne, Ar, He, Si, S, F, Cl, Br, I,
+ X]
+ species: [N2, Ne, furfuryl(1), O2(2), H(3), OH(7), H2O(9), HO2(10), VA(30),
+ CH2CO(47), CO(49), CO2(50), CHCHO(87), C5H6O2(1246), C5H6O2(1249), C5H5O(1263),
+ C5H5O2(1266), C5H6O2(1274), C5H6O2(1275), C5H6O4(1280), C5H6O4(1283),
+ C5H6O2(1287), C#CCO(1295), C5H5O(1296), C5H6O2(1302), C5H6O2(1308),
+ C5H6O2(1346), C5H6O2(1347), C5H6O4(1523), C5H6O2(1598), C5H7O3(1602),
+ C5H6O4(1634), C5H6O4(1707), C5H6O2(1748), C5H6O2(1774), C5H6O4(1802),
+ C5H5O4(1811), C5H6O4(1828), C5H4O2(1924), C4H5O(1980), C5H6O4(2010),
+ C5H6O4(2096), C5H6O4(2115), C4H6O(2191), C5H6O2(2433), C5H6O4(2682),
+ C5H6O4(2687), C5H6O2(2772), C5H6O2(2848), C5H7O3(2938), C4H7O2(2949),
+ C4H6O2(2973), C4H6O(2975), C5H6O2(3537), C5H6O2(3538), C4H6O(3627),
+ C5H6O2(3810), C5H6O2(3988), C5H6O2(4237), C5H5O4(4630)]
+ kinetics: gas
+ transport: mixture-averaged
+ state: {T: 300.0, P: 1 atm}
+
+elements:
+- symbol: Ci
+ atomic-weight: 13.003
+- symbol: D
+ atomic-weight: 2.014
+- symbol: Oi
+ atomic-weight: 17.999
+- symbol: T
+ atomic-weight: 3.016
+- symbol: X
+ atomic-weight: 195.083
+
+species:
+- name: N2
+ composition: {N: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 6000.0]
+ data:
+ - [3.53101, -1.23661e-04, -5.02999e-07, 2.43531e-09, -1.40881e-12, -1046.98,
+ 2.96747]
+ - [2.95258, 1.3969e-03, -4.92632e-07, 7.8601e-11, -4.60755e-15, -923.949,
+ 5.87189]
+ note: 'Thermo library: primaryThermoLibrary'
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 322.846
+ diameter: 3.461
+ dipole: 1.781
+ rotational-relaxation: 1.0
+ note: OneDMinN2
+ note: N2
+- name: Ne
+ composition: {Ne: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 6000.0]
+ data:
+ - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 3.35532]
+ note: 'Thermo library: primaryThermoLibrary'
+ transport:
+ model: gas
+ geometry: atom
+ well-depth: 148.6
+ diameter: 3.758
+ note: Epsilon & sigma estimated with fixed Lennard Jones Parameters.
+ This is the fallback method! Try improving transport databases!
+ note: Ne
+- name: furfuryl(1)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [10.0, 992.72, 3000.0]
+ data:
+ - [3.89525, 0.0262426, 2.45489e-05, -4.41978e-08, 1.6863e-11, -2.90002e+04,
+ 12.0103]
+ - [6.3913, 0.0356842, -1.91804e-05, 4.95507e-09, -4.98206e-13, -3.04566e+04,
+ -4.85274]
+ note: 'Thermo library: 2FFOH_thermo'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 501.522
+ diameter: 6.61
+ note: Epsilon & sigma estimated with Tc=651.33 K, Pc=32.77 bar (from
+ Joback method)
+ note: furfuryl(1)
+- name: O2(2)
+ composition: {O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1074.55, 5000.0]
+ data:
+ - [3.53732242, -1.21571644e-03, 5.31620241e-06, -4.89446418e-09, 1.45846252e-12,
+ -1038.58849, 4.68368184]
+ - [3.15382083, 1.67804368e-03, -7.69974219e-07, 1.51275458e-10, -1.08782411e-14,
+ -1040.81729, 6.16755821]
+ note: 'Thermo library: primaryThermoLibrary'
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 106.7
+ diameter: 3.467
+ note: PrimaryTransportLibrary
+ note: O2(2)
+- name: H(3)
+ composition: {H: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 4879.8, 5000.0]
+ data:
+ - [2.5, -3.01680531e-12, 3.74582141e-15, -1.50856878e-18, 1.86626471e-22,
+ 2.54742178e+04, -0.444972899]
+ - [4.28461071, -1.45494649e-03, 4.44804306e-07, -6.04359642e-11, 3.07921551e-15,
+ 2.37230923e+04, -11.8931307]
+ note: 'Thermo library: primaryThermoLibrary'
+ transport:
+ model: gas
+ geometry: atom
+ well-depth: 145.0
+ diameter: 2.05
+ note: NOx2018
+ note: H(3)
+- name: OH(7)
+ composition: {H: 1, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1145.76, 5000.0]
+ data:
+ - [3.51456839, 2.92734266e-05, -5.32150589e-07, 1.0194752e-09, -3.85939401e-13,
+ 3414.25418, 2.10434756]
+ - [3.07193724, 6.04019842e-04, -1.39805946e-08, -2.13440809e-11, 2.48061363e-15,
+ 3579.38792, 4.5780147]
+ note: 'Thermo library: primaryThermoLibrary'
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 80.0
+ diameter: 2.75
+ note: NOx2018
+ note: OH(7)
+- name: H2O(9)
+ composition: {H: 2, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1130.25, 5000.0]
+ data:
+ - [4.05763677, -7.87946473e-04, 2.90880969e-06, -1.47523008e-09, 2.12859005e-13,
+ -3.02815867e+04, -0.311367464]
+ - [2.84324402, 2.75109591e-03, -7.81037318e-07, 1.07244983e-10, -5.79403178e-15,
+ -2.99586099e+04, 5.91045648]
+ note: 'Thermo library: primaryThermoLibrary'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 809.102
+ diameter: 2.641
+ polarizability: 1.76
+ rotational-relaxation: 4.0
+ note: PrimaryTransportLibrary
+ note: H2O(9)
+- name: HO2(10)
+ composition: {H: 1, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 923.9, 5000.0]
+ data:
+ - [4.02957148, -2.63999447e-03, 1.52235621e-05, -1.71678812e-08, 6.26772304e-12,
+ 322.676787, 4.84423889]
+ - [4.15129844, 1.91151964e-03, -4.1130909e-07, 6.35040525e-11, -4.86454821e-15,
+ 83.4346007, 3.0935982]
+ note: 'Thermo library: BurkeH2O2'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 107.4
+ diameter: 3.458
+ rotational-relaxation: 1.0
+ note: NOx2018
+ note: HO2(10)
+- name: VA(30)
+ composition: {C: 4, H: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 955.23, 5000.0]
+ data:
+ - [2.87088423, 0.0182036186, 1.06733672e-05, -2.7252296e-08, 1.1949162e-11,
+ 3.30238429e+04, 11.2932548]
+ - [8.5263531, 0.0108964519, -3.56582038e-06, 6.31285204e-10, -4.51925736e-14,
+ 3.11963103e+04, -19.6425368]
+ note: 'Thermo library: DFT_QCI_thermo'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 357.002
+ diameter: 5.18
+ rotational-relaxation: 1.0
+ note: GRI-Mech
+ note: VA(30)
+- name: CH2CO(47)
+ composition: {C: 2, H: 2, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 954.86, 5000.0]
+ data:
+ - [3.48302322, 8.3298395e-03, 5.93439418e-06, -1.33942363e-08, 5.73146242e-12,
+ -7313.53185, 6.51896559]
+ - [5.88243931, 5.80175442e-03, -1.91267461e-06, 3.35921095e-10, -2.37401055e-14,
+ -8114.72342, -6.74192146]
+ note: 'Thermo library: DFT_QCI_thermo'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 436.0
+ diameter: 3.97
+ rotational-relaxation: 2.0
+ note: NOx2018
+ note: CH2CO(47)
+- name: CO(49)
+ composition: {C: 1, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1571.62, 5000.0]
+ data:
+ - [3.56838092, -8.52134725e-04, 2.48920193e-06, -1.56333269e-09, 3.13601889e-13,
+ -1.4284255e+04, 3.57911825]
+ - [2.91303485, 1.64662385e-03, -6.88638052e-07, 1.21042316e-10, -7.84056031e-15,
+ -1.41808678e+04, 6.71064294]
+ note: 'Thermo library: primaryThermoLibrary'
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 91.7
+ diameter: 3.69
+ polarizability: 1.76
+ rotational-relaxation: 4.0
+ note: PrimaryTransportLibrary
+ note: CO(49)
+- name: CO2(50)
+ composition: {C: 1, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 988.19, 5000.0]
+ data:
+ - [3.27789801, 2.75787862e-03, 7.12767997e-06, -1.07852054e-08, 4.14216844e-12,
+ -4.8475603e+04, 5.9785743]
+ - [4.55073003, 2.90725297e-03, -1.14641375e-06, 2.25793643e-10, -1.69522862e-14,
+ -4.89860166e+04, -1.45671816]
+ note: 'Thermo library: BurkeH2O2'
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 195.201
+ diameter: 3.941
+ note: PrimaryTransportLibrary
+ note: CO2(50)
+- name: CHCHO(87)
+ composition: {C: 2, H: 2, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 969.35, 5000.0]
+ data:
+ - [3.32152972, 9.95618464e-03, 8.23604256e-06, -1.9300187e-08, 8.37532054e-12,
+ 1.81505831e+04, 9.47653313]
+ - [7.7385777, 3.93436297e-03, -1.33191249e-06, 2.69037465e-10, -2.15564636e-14,
+ 1.67208307e+04, -14.6534127]
+ note: 'Thermo library: DFT_QCI_thermo'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 436.0
+ diameter: 3.97
+ rotational-relaxation: 2.0
+ note: NOx2018
+ note: CHCHO(87)
+- name: C5H6O2(1246)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 942.18, 5000.0]
+ data:
+ - [0.791845257, 0.0608925824, -4.14594807e-05, 5.42139749e-10, 7.06351031e-12,
+ 9177.42389, 26.8133783]
+ - [17.5217676, 0.013567174, -3.84838701e-06, 6.28820061e-10, -4.40187615e-14,
+ 4972.93466, -58.4850574]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(O2s-(Cds-Cd)H) + group(Cs-(Cds-Cds)OsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) +
+ group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsOsH) + radical(C=COJ) + radical(Cds_S)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 522.109
+ diameter: 6.859
+ note: Epsilon & sigma estimated with Tc=678.06 K, Pc=30.52 bar (from
+ Joback method)
+ note: '[O]C=CC=[C]CO(1246)'
+- name: C5H6O2(1249)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 972.03, 5000.0]
+ data:
+ - [1.43698238, 0.0410787265, 1.2549969e-05, -5.04584125e-08, 2.32389754e-11,
+ -612.337992, 22.0404213]
+ - [16.5760498, 0.0157723683, -5.48354334e-06, 1.06186451e-09, -8.13696323e-14,
+ -5303.06192, -59.5567829]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsCs) + group(O2s-CsH) + group(Cs-(Cds-Cds)CsCsOs) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsOsHH) +
+ group(Cds-CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_3_4_ene_1)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 488.357
+ diameter: 6.666
+ note: Epsilon & sigma estimated with Tc=634.23 K, Pc=31.11 bar (from
+ Joback method)
+ note: OCC12C=CC1O2(1249)
+- name: C5H5O(1263)
+ composition: {C: 5, H: 5, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [10.0, 563.02, 3000.0]
+ data:
+ - [4.1537, -0.0147656, 2.19245e-04, -3.93122e-07, 2.25597e-10, 6062.27,
+ 10.4373]
+ - [0.720469, 0.043979, -2.87874e-05, 8.94419e-09, -1.05631e-12, 5904.39,
+ 20.1931]
+ note: 'Thermo library: 2BF_thermo'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 437.704
+ diameter: 5.935
+ note: Epsilon & sigma estimated with Tc=568.45 K, Pc=39.51 bar (from
+ Joback method)
+ note: '[CH2]C1=CC=CO1(1263)'
+- name: C5H5O2(1266)
+ composition: {C: 5, H: 5, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [10.0, 603.65, 3000.0]
+ data:
+ - [3.88768, 6.29857e-03, 1.44742e-04, -2.63059e-07, 1.43223e-10, -1.45761e+04,
+ 11.0928]
+ - [0.924919, 0.0528724, -3.79352e-05, 1.26243e-08, -1.57084e-12, -1.47093e+04,
+ 19.8252]
+ note: 'Thermo library: 2FFOH_thermo'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 501.522
+ diameter: 6.61
+ note: Epsilon & sigma estimated with Tc=651.33 K, Pc=32.77 bar (from
+ Joback method)
+ note: O[CH]C1=CC=CO1(1266)
+- name: C5H6O2(1274)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 939.57, 5000.0]
+ data:
+ - [2.15004078, 0.0163419527, 8.85730814e-05, -1.33923157e-07, 5.43746252e-11,
+ -2.18133665e+04, 22.7531777]
+ - [18.0321368, 0.0107576539, -1.54084742e-06, 2.82064703e-10, -3.06955521e-14,
+ -2.75358211e+04, -67.4491815]
+ note: |-
+ Thermo group additivity estimation: group(O2s-(Cds-Cd)(Cds-Cd)) + group(O2s-CsH) + group(Cs-(Cds-Cds)(Cds-Cds)OsH) + group(Cds-CdsCsOs) + group(Cds-
+ CdsCsH) + group(Cds-CdsOsH) + group(Cds-CdsHH) + ring(Cyclopentane)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 492.651
+ diameter: 6.482
+ note: Epsilon & sigma estimated with Tc=639.81 K, Pc=34.12 bar (from
+ Joback method)
+ note: C=C1OC=CC1O(1274)
+- name: C5H6O2(1275)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1276.4, 5000.0]
+ data:
+ - [1.49566749, 0.0535090252, -4.34599916e-05, 1.9113091e-08, -3.49644018e-12,
+ -2940.69753, 23.2420643]
+ - [10.4233163, 0.0255316395, -1.05817614e-05, 1.94084054e-09, -1.33049899e-13,
+ -5219.7643, -22.0074809]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H) + group(Cs-(Cds-Cds)OsHH) + group(Cds-CdsCsCs) +
+ group(Cds-CdsCsH) + group(Cds-OdCsH) + ring(Cyclopropene)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 500.557
+ diameter: 6.514
+ note: Epsilon & sigma estimated with Tc=650.07 K, Pc=34.16 bar (from
+ Joback method)
+ note: O=CC1C=C1CO(1275)
+- name: C5H6O4(1280)
+ composition: {C: 5, H: 6, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 895.63, 5000.0]
+ data:
+ - [-0.42525413, 0.0663493714, 2.56868817e-05, -1.18548349e-07, 6.20074756e-11,
+ -2.34467015e+04, 24.6849005]
+ - [35.5259714, -9.64437202e-03, 1.13237554e-05, -2.42777547e-09, 1.65331078e-13,
+ -3.32783421e+04, -163.731734]
+ note: |-
+ Thermo group additivity estimation: group(O2s-Cs(Cds-Cd)) + group(O2s-OsCs) + group(O2s-CsH) + group(O2s-OsH) + group(Cs-CsCsOsOs) + group(Cs-(Cds-
+ Cds)CsHH) + group(Cs-CsOsHH) + group(Cds-CdsCsH) + group(Cds-CdsOsH) + ring(2,3-Dihydrofuran) + radical(ROOJ) + radical(C=CCJCO)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 577.28
+ diameter: 7.754
+ note: Epsilon & sigma estimated with Tc=749.71 K, Pc=23.36 bar (from
+ Joback method)
+ note: '[O]OC1(CO)[CH]C=CO1(1280)'
+- name: C5H6O4(1283)
+ composition: {C: 5, H: 6, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [10.0, 969.49, 3000.0]
+ data:
+ - [3.58494, 0.0487897, -7.40106e-06, -2.32306e-08, 1.17245e-11, -1.61877e+04,
+ 15.4515]
+ - [9.47722, 0.0418385, -2.35051e-05, 6.31307e-09, -6.56683e-13, -1.8146e+04,
+ -17.0002]
+ note: 'Thermo library: 2FFOH_thermo'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 576.701
+ diameter: 7.601
+ note: Epsilon & sigma estimated with Tc=748.96 K, Pc=24.78 bar (from
+ Joback method)
+ note: '[O]OC1[CH]C=C(CO)O1(1283)'
+- name: C5H6O2(1287)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 572.6, 5000.0]
+ data:
+ - [1.76108934, 0.0552071122, -4.96824243e-05, 1.55657705e-08, 6.28104728e-12,
+ -1.92584552e+04, 23.9605804]
+ - [6.22950836, 0.033013468, -1.51754161e-05, 2.90396452e-09, -2.03326159e-13,
+ -1.99180717e+04, 3.60308048]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + missing(O2d-Cdd) + group(Cs-(Cds-Cds)OsHH) + group(Cds-CdsCsH) + group(Cd-Cd(CCO)H) +
+ group(Cds-(Cdd-O2d)CsH) + missing(Cdd-CdO2d)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 441.563
+ diameter: 6.388
+ note: Epsilon & sigma estimated with Tc=573.46 K, Pc=31.96 bar (from
+ Joback method)
+ note: O=C=CC=CCO(1287)
+- name: C#CCO(1295)
+ composition: {C: 3, H: 4, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1357.58, 5000.0]
+ data:
+ - [2.54661254, 0.0279791489, -2.40894366e-05, 1.19726849e-08, -2.37670897e-12,
+ 2333.42787, 13.7516247]
+ - [7.49675459, 0.0111494376, -3.01418476e-06, 4.05419543e-10, -2.23157847e-14,
+ 1196.22007, -10.881448]
+ note: 'Thermo group additivity estimation: group(O2s-CsH) + group(Cs-CtOsHH)
+ + group(Ct-CtCs) + group(Ct-CtH)'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 403.598
+ diameter: 5.569
+ note: Epsilon & sigma estimated with Tc=524.15 K, Pc=44.09 bar (from
+ Joback method)
+ note: C#CCO(1295)
+- name: C5H5O(1296)
+ composition: {C: 5, H: 5, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [10.0, 522.26, 3000.0]
+ data:
+ - [3.8243, 0.0142624, 9.58273e-05, -2.05043e-07, 1.28307e-10, 1.93336e+04,
+ 10.8506]
+ - [2.3081, 0.0413833, -2.66096e-05, 8.1072e-09, -9.43177e-13, 1.92805e+04,
+ 15.1556]
+ note: 'Thermo library: 2FFOH_thermo'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 423.356
+ diameter: 5.638
+ note: Epsilon & sigma estimated with Tc=549.81 K, Pc=44.56 bar (from
+ Joback method)
+ note: C=[C]C=CC=O(1296)
+- name: C5H6O2(1302)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 977.38, 5000.0]
+ data:
+ - [0.442725622, 0.0683633833, -5.43711647e-05, 1.2228501e-08, 2.73867726e-12,
+ 1798.60755, 24.8770356]
+ - [18.680081, 0.0150031725, -5.1333645e-06, 9.17397228e-10, -6.54223588e-14,
+ -2782.6481, -67.88945]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(O2s-(Cds-Cd)H) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsOsHH) + group(Cds-CdsCsH) +
+ group(Cds-CdsOsH) + group(Cdd-CdsCds) + radical(C=COJ) + radical(C=CCJCO)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 522.792
+ diameter: 6.963
+ note: Epsilon & sigma estimated with Tc=678.95 K, Pc=29.22 bar (from
+ Joback method)
+ note: '[O]C=C=C[CH]CO(1302)'
+- name: C5H6O2(1308)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 741.67, 5000.0]
+ data:
+ - [1.51128956, 0.0606384214, -6.78707792e-05, 4.82681504e-08, -1.53014326e-11,
+ -1.55416491e+04, 23.8096402]
+ - [6.06306982, 0.0360912739, -1.82284624e-05, 3.64907866e-09, -2.62386664e-13,
+ -1.62168788e+04, 3.20992564]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(Cs-(Cds-Cds)OsHH) + group(Cds-CdsCsH) + group(Cd-Cd(CO)H) + group(Cds-O2d(Cds-Cds)H) +
+ group(Cdd-CdsCds)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 499.661
+ diameter: 6.493
+ note: Epsilon & sigma estimated with Tc=648.91 K, Pc=34.44 bar (from
+ Joback method)
+ note: O=CC=C=CCO(1308)
+- name: C5H6O2(1346)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 984.28, 5000.0]
+ data:
+ - [0.868190813, 0.0585780447, -3.69679646e-05, -9.29502722e-10, 6.33509987e-12,
+ 9915.5084, 28.8846647]
+ - [17.0755814, 0.0152892628, -5.40256504e-06, 9.93484122e-10, -7.19860118e-14,
+ 5631.37904, -54.6051656]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(O2s-(Cds-Cd)H) + group(Cs-(Cds-Cds)(Cds-Cds)OsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +
+ group(Cds-CdsOsH) + group(Cds-CdsHH) + radical(C=COJ) + radical(Cds_S)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 515.451
+ diameter: 6.825
+ note: Epsilon & sigma estimated with Tc=669.42 K, Pc=30.59 bar (from
+ Joback method)
+ note: C=[C]C(O)C=C[O](1346)
+- name: C5H6O2(1347)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1274.48, 5000.0]
+ data:
+ - [0.652502979, 0.0653566184, -6.40962433e-05, 3.16040396e-08, -6.07825917e-12,
+ 9900.70058, 29.8808513]
+ - [16.5262824, 0.0155372638, -5.46256772e-06, 9.34050303e-10, -6.22097402e-14,
+ 5854.45187, -50.5512941]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(O2s-(Cds-Cd)H) + group(Cs-(Cds-Cds)(Cds-Cds)OsH) + group(Cds-CdsCsOs) + group(Cds-CdsCsH) +
+ group(Cds-CdsHH) + group(Cds-CdsHH) + radical(C=C(C)OJ) + radical(Cds_P)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 508.626
+ diameter: 6.782
+ note: Epsilon & sigma estimated with Tc=660.55 K, Pc=30.76 bar (from
+ Joback method)
+ note: '[CH]=CC(O)C(=C)[O](1347)'
+- name: C5H6O4(1523)
+ composition: {C: 5, H: 6, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1633.24, 5000.0]
+ data:
+ - [-0.0686617368, 0.0774449407, -6.20040031e-05, 2.31661538e-08, -3.38447546e-12,
+ -4.29055675e+04, 21.1984428]
+ - [23.0480009, 0.0208294147, -1.00071302e-05, 1.94170659e-09, -1.35646742e-13,
+ -5.04565717e+04, -101.666312]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsCs) + group(O2s-OsCs) + group(O2s-OsCs) + group(O2s-CsH) + group(Cs-CsCsOsOs) + group(Cs-CsOsOsH) +
+ group(Cs-CsOsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + polycyclic(s3_5_5_ene_1)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 547.011
+ diameter: 7.329
+ note: Epsilon & sigma estimated with Tc=710.40 K, Pc=26.22 bar (from
+ Joback method)
+ note: OCC12C=CC(OO1)O2(1523)
+- name: C5H6O2(1598)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 958.84, 5000.0]
+ data:
+ - [0.58639554, 0.0604732381, -2.78068882e-05, -2.00156195e-08, 1.52370629e-11,
+ -2.85318667e+04, 23.1832316]
+ - [21.2623767, 9.24966045e-03, -2.47428461e-06, 4.73058214e-10, -3.93219008e-14,
+ -3.41071804e+04, -84.0946016]
+ note: |-
+ Thermo group additivity estimation: group(O2s-(Cds-Cd)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cd-Cd(CO)H) + group(Cds-CdsOsH)
+ + group(Cds-O2d(Cds-Cds)H)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 498.69
+ diameter: 6.387
+ note: Epsilon & sigma estimated with Tc=647.65 K, Pc=36.12 bar (from
+ Joback method)
+ note: O=CC=CC=CO(1598)
+- name: C5H7O3(1602)
+ composition: {C: 5, H: 7, O: 3}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1655.94, 5000.0]
+ data:
+ - [-1.59266246, 0.091304306, -9.44292789e-05, 4.55122307e-08, -8.02342454e-12,
+ -4.51293977e+04, 34.9842651]
+ - [25.6097346, 5.40449479e-03, 1.67120152e-06, -5.40342998e-10, 4.08764771e-14,
+ -5.1370175e+04, -101.612805]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(O2s-(Cds-Cd)H) + group(O2s-(Cds-Cd)H) + group(Cs-(Cds-Cds)OsHH) + group(Cds-CdsCsOs) +
+ group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsOsH) + radical(C=COJ)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 590.769
+ diameter: 7.565
+ note: Epsilon & sigma estimated with Tc=767.23 K, Pc=25.74 bar (from
+ Joback method)
+ note: '[O]C=CC=C(O)CO(1602)'
+- name: C5H6O4(1634)
+ composition: {C: 5, H: 6, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 933.81, 5000.0]
+ data:
+ - [-0.0904516286, 0.0511070366, 7.42779382e-05, -1.6329653e-07, 7.39606952e-11,
+ -3.53901848e+04, 23.1970342]
+ - [36.5095846, -6.30481716e-03, 6.88597899e-06, -1.23148235e-09, 6.49564568e-14,
+ -4.65579875e+04, -174.067547]
+ note: |-
+ Thermo group additivity estimation: group(O2s-Cs(Cds-Cd)) + group(O2s-OsCs) + group(O2s-OsCs) + group(O2s-CsH) + group(Cs-CsCsOsOs) + group(Cs-(Cds-
+ Cds)CsOsH) + group(Cs-CsOsHH) + group(Cds-CdsCsH) + group(Cds-CdsOsH) + polycyclic(s2_4_5_ene_1)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 547.011
+ diameter: 7.329
+ note: Epsilon & sigma estimated with Tc=710.40 K, Pc=26.22 bar (from
+ Joback method)
+ note: OCC12OC=CC1OO2(1634)
+- name: C5H6O4(1707)
+ composition: {C: 5, H: 6, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [10.0, 359.29, 3000.0]
+ data:
+ - [3.22428, 0.0802485, -1.80674e-04, 3.68015e-07, -3.13587e-10, -3.35756e+04,
+ 15.8368]
+ - [4.1197, 0.0582958, -3.89917e-05, 1.22875e-08, -1.46893e-12, -3.35625e+04,
+ 13.5099]
+ note: 'Thermo library: 2FFOH_thermo'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 621.567
+ diameter: 8.141
+ note: Epsilon & sigma estimated with Tc=807.23 K, Pc=21.73 bar (from
+ Joback method)
+ note: '[O]C1C=CC([O])(CO)O1(1707)'
+- name: C5H6O2(1748)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 976.55, 5000.0]
+ data:
+ - [1.84001666, 0.0328900441, 2.66554763e-05, -5.89921706e-08, 2.49147095e-11,
+ -2.85249032e+04, 22.1005035]
+ - [13.912888, 0.0190962978, -6.92786627e-06, 1.3253013e-09, -9.90348162e-14,
+ -3.25830758e+04, -44.5629105]
+ note: |-
+ Thermo group additivity estimation: group(O2s-(Cds-Cd)(Cds-Cd)) + group(O2s-CsH) + group(Cs-(Cds-Cds)OsHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-
+ Cds(Cds-Cds)H) + group(Cds-CdsOsH) + group(Cds-CdsOsH) + ring(Furan)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 501.522
+ diameter: 6.61
+ note: Epsilon & sigma estimated with Tc=651.33 K, Pc=32.77 bar (from
+ Joback method)
+ note: OCC1=COC=C1(1748)
+- name: C5H6O2(1774)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1061.35, 5000.0]
+ data:
+ - [1.37089752, 0.0492649579, -2.16584853e-05, -5.2471282e-09, 4.94681762e-12,
+ 1.98574631e+04, 34.4999662]
+ - [12.2291115, 0.0246406062, -9.89074654e-06, 1.82935422e-09, -1.2799681e-13,
+ 1.66346373e+04, -22.85561]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsOsHH) + group(Cds-OdCsH) + group(CsJ2_singlet-
+ CsH) + ring(Cyclopropane)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 399.3
+ diameter: 5.949
+ note: Epsilon & sigma estimated with fixed Lennard Jones Parameters.
+ This is the fallback method! Try improving transport databases!
+ note: O=CC1[C]C1CO(1774)
+- name: C5H6O4(1802)
+ composition: {C: 5, H: 6, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 932.63, 5000.0]
+ data:
+ - [1.19631948, 0.0394704156, 3.56846396e-05, -9.00090783e-08, 4.15655317e-11,
+ -7.54042651e+04, 26.2098918]
+ - [22.7608092, 3.81000993e-03, 1.6382371e-06, -3.35836331e-10, 1.37715085e-14,
+ -8.18980578e+04, -89.5722126]
+ note: |-
+ Thermo group additivity estimation: group(O2s-Cs(Cds-O2d)) + group(O2s-CsH) + group(O2s-CsH) + group(Cs-CsCsOsOs) + group(Cs-CsOsHH) + group(Cds-
+ CdsCsH) + missing(Cd-COCdH) + group(Cds-O2d(Cds-Cds)O2s) + ring(Cyclopentane)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 623.198
+ diameter: 7.758
+ note: Epsilon & sigma estimated with Tc=809.35 K, Pc=25.18 bar (from
+ Joback method)
+ note: O=C1C=CC(O)(CO)O1(1802)
+- name: C5H5O4(1811)
+ composition: {C: 5, H: 5, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 939.8, 5000.0]
+ data:
+ - [1.47642366, 0.0412916334, 5.36606385e-06, -4.54406612e-08, 2.29453067e-11,
+ -4.73928008e+04, 26.0834721]
+ - [17.2670124, 9.95265932e-03, -1.86455549e-06, 3.00055213e-10, -2.5565959e-14,
+ -5.19448375e+04, -57.5440925]
+ note: |-
+ Thermo group additivity estimation: group(O2s-Cs(Cds-O2d)) + group(O2s-CsH) + group(O2s-CsH) + group(Cs-CsCsOsOs) + group(Cs-CsOsHH) + group(Cds-
+ CdsCsH) + missing(Cd-COCdH) + group(Cds-O2d(Cds-Cds)O2s) + ring(Cyclopentane) + radical(C=CC(C)(O)OJ)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 623.198
+ diameter: 7.758
+ note: Epsilon & sigma estimated with Tc=809.35 K, Pc=25.18 bar (from
+ Joback method)
+ note: '[O]C1(CO)C=CC(=O)O1(1811)'
+- name: C5H6O4(1828)
+ composition: {C: 5, H: 6, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 908.59, 5000.0]
+ data:
+ - [0.262071063, 0.0573130753, 2.31995994e-05, -9.51708735e-08, 4.80458997e-11,
+ -2.95971059e+04, 27.1464241]
+ - [27.7071301, 2.68468881e-03, 4.10164211e-06, -9.71745395e-10, 6.3458643e-14,
+ -3.73167406e+04, -117.665549]
+ note: |-
+ Thermo group additivity estimation: group(O2s-Cs(Cds-Cd)) + group(O2s-CsH) + group(O2s-CsH) + group(O2s-CsH) + group(Cs-CsCsOsOs) + group(Cs-(Cds-
+ Cds)CsOsH) + group(Cs-CsOsHH) + group(Cds-CdsCsH) + group(Cds-CdsOsH) + ring(2,3-Dihydrofuran) + radical(CC(C)(O)OJ) + radical(CC(C)OJ)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 621.567
+ diameter: 8.141
+ note: Epsilon & sigma estimated with Tc=807.23 K, Pc=21.73 bar (from
+ Joback method)
+ note: '[O]C1C=COC1([O])CO(1828)'
+- name: C5H4O2(1924)
+ composition: {C: 5, H: 4, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [10.0, 549.81, 3000.0]
+ data:
+ - [3.9351, 3.79574e-03, 1.23666e-04, -2.22527e-07, 1.24516e-10, -2.0888e+04,
+ 10.7077]
+ - [-0.272837, 0.0476545, -3.21255e-05, 1.01922e-08, -1.22536e-12, -2.06255e+04,
+ 26.6709]
+ note: 'Thermo library: 2FFOH_thermo'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 481.596
+ diameter: 6.152
+ note: Epsilon & sigma estimated with Tc=625.45 K, Pc=39.01 bar (from
+ Joback method)
+ note: O=CC1=CC=CO1(1924)
+- name: C4H5O(1980)
+ composition: {C: 4, H: 5, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 941.36, 5000.0]
+ data:
+ - [1.90857152, 0.0360394061, -5.2302665e-06, -2.56750267e-08, 1.43538299e-11,
+ 1.70685156e+04, 17.1022652]
+ - [14.0452439, 9.36022916e-03, -2.38188186e-06, 3.97075386e-10, -2.99862609e-14,
+ 1.36806228e+04, -46.5747456]
+ note: 'Thermo library: CBS_QB3_1dHR'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 429.68
+ diameter: 5.791
+ note: Epsilon & sigma estimated with Tc=558.03 K, Pc=41.73 bar (from
+ Joback method)
+ note: C=C[C]=CO(1980)
+- name: C5H6O4(2010)
+ composition: {C: 5, H: 6, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1445.6, 5000.0]
+ data:
+ - [0.238598135, 0.0734926125, -6.11774233e-05, 2.54123981e-08, -4.20159031e-12,
+ -5.46497673e+04, 34.6234106]
+ - [18.0348331, 0.0242497017, -1.00809917e-05, 1.8480783e-09, -1.26375445e-13,
+ -5.97949705e+04, -57.7913306]
+ note: |-
+ Thermo group additivity estimation: group(O2s-Cs(Cds-O2d)) + group(O2s-CsH) + group(O2s-(Cds-Cd)H) + group(Cs-(Cds-Cds)OsHH) + group(Cs-(Cds-O2d)OsHH)
+ + group(Cds-CdsCsH) + group(Cds-OdCsOs) + group(Cds-CdsOsH) + radical(C=COJ) + radical(C=CCJ(O)C)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 562.726
+ diameter: 7.241
+ note: Epsilon & sigma estimated with Tc=730.81 K, Pc=27.97 bar (from
+ Joback method)
+ note: '[O]C=C[CH]OC(=O)CO(2010)'
+- name: C5H6O4(2096)
+ composition: {C: 5, H: 6, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 962.54, 5000.0]
+ data:
+ - [0.329450662, 0.0594242547, 5.35011182e-06, -6.17410378e-08, 3.07265924e-11,
+ -6.65122498e+04, 28.6200475]
+ - [23.8274739, 0.0136490439, -4.15604006e-06, 8.35021595e-10, -6.91322911e-14,
+ -7.34388482e+04, -96.3300431]
+ note: |-
+ Thermo group additivity estimation: group(O2s-Cs(Cds-O2d)) + group(O2s-Cs(Cds-Cd)) + group(O2s-CsH) + group(Cs-CsOsOsH) + group(Cs-(Cds-O2d)OsHH) +
+ group(Cds-CdsCsH) + group(Cds-OdCsOs) + group(Cds-CdsOsH) + ring(Cyclobutene)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 532.63
+ diameter: 6.882
+ note: Epsilon & sigma estimated with Tc=691.73 K, Pc=30.83 bar (from
+ Joback method)
+ note: O=C(CO)OC1C=CO1(2096)
+- name: C5H6O4(2115)
+ composition: {C: 5, H: 6, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1189.93, 5000.0]
+ data:
+ - [0.356405228, 0.0815985982, -8.02864531e-05, 3.96728913e-08, -7.92753975e-12,
+ -7.42958189e+04, 29.5636918]
+ - [15.8221817, 0.0296090405, -1.47486642e-05, 2.95439147e-09, -2.13012071e-13,
+ -7.79764079e+04, -47.7389455]
+ note: |-
+ Thermo group additivity estimation: group(O2s-(Cds-O2d)(Cds-Cd)) + group(O2s-CsH) + group(Cs-(Cds-O2d)OsHH) + group(Cds-OdCsOs) + group(Cd-Cd(CO)H) +
+ group(Cds-CdsOsH) + group(Cds-O2d(Cds-Cds)H)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 538.394
+ diameter: 6.763
+ note: Epsilon & sigma estimated with Tc=699.21 K, Pc=32.84 bar (from
+ Joback method)
+ note: O=CC=COC(=O)CO(2115)
+- name: C4H6O(2191)
+ composition: {C: 4, H: 6, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 956.3, 5000.0]
+ data:
+ - [2.23198875, 0.0259150746, 2.73066724e-05, -5.65530734e-08, 2.41555786e-11,
+ 1.03895605e+04, 19.950235]
+ - [12.8263441, 0.0138580734, -4.37810249e-06, 8.08115604e-10, -6.1222139e-14,
+ 6888.3273, -38.3998201]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(Cs-(Cds-Cds)OsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +
+ radical(C=CCJO) + radical(Allyl_P)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 429.506
+ diameter: 6.003
+ note: Epsilon & sigma estimated with Tc=557.80 K, Pc=37.45 bar (from
+ Joback method)
+ note: '[CH2]C=C[CH]O(2191)'
+- name: C5H6O2(2433)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1070.21, 5000.0]
+ data:
+ - [0.671981344, 0.0701203195, -7.90983416e-05, 4.63344831e-08, -1.06410039e-11,
+ 9235.27671, 26.6473831]
+ - [14.5378038, 0.0182955433, -6.46090583e-06, 1.08630937e-09, -7.10553342e-14,
+ 6267.41391, -41.1880328]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(O2s-(Cds-Cd)H) + group(Cs-(Cds-Cds)OsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)O2s) +
+ group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=C(C)OJ) + radical(Cds_P)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 515.302
+ diameter: 6.817
+ note: Epsilon & sigma estimated with Tc=669.22 K, Pc=30.69 bar (from
+ Joback method)
+ note: '[CH]=C([O])C=CCO(2433)'
+- name: C5H6O4(2682)
+ composition: {C: 5, H: 6, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1183.12, 5000.0]
+ data:
+ - [0.294524969, 0.0781321239, -7.69008735e-05, 3.92565785e-08, -8.01293423e-12,
+ -6.44941742e+04, 31.2445533]
+ - [15.7264119, 0.0259589239, -1.07543254e-05, 1.98443429e-09, -1.37167618e-13,
+ -6.81457521e+04, -45.8004275]
+ note: |-
+ Thermo group additivity estimation: group(O2s-Cs(Cds-O2d)) + group(O2s-CsH) + group(O2s-(Cds-Cd)H) + group(Cs-(Cds-O2d)CsOsH) + group(Cs-(Cds-
+ Cds)OsHH) + group(Cds-CdsCsOs) + group(Cds-CdsCsH) + group(Cds-OdCsOs) + ring(2(co)oxirane)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 612.631
+ diameter: 7.522
+ note: Epsilon & sigma estimated with Tc=795.62 K, Pc=27.16 bar (from
+ Joback method)
+ note: O=C1OC1C=C(O)CO(2682)
+- name: C5H6O4(2687)
+ composition: {C: 5, H: 6, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1445.18, 5000.0]
+ data:
+ - [0.438664546, 0.0766327663, -6.40270195e-05, 2.57091874e-08, -4.15231517e-12,
+ -5.03760437e+04, 29.4343363]
+ - [17.6490581, 0.028997565, -1.45849688e-05, 2.90143818e-09, -2.06836962e-13,
+ -5.53504767e+04, -59.9333476]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(O2s-(Cds-Cd)H) + group(O2s-(Cds-O2d)H) + group(Cs-(Cds-O2d)(Cds-Cds)HH) + group(Cs-(Cds-
+ Cds)OsHH) + group(Cds-CdsCsOs) + group(Cds-CdsCsH) + group(Cds-OdCsOs) + radical(CCOJ) + radical(C=CCJCO)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 639.884
+ diameter: 7.793
+ note: Epsilon & sigma estimated with Tc=831.02 K, Pc=25.51 bar (from
+ Joback method)
+ note: '[O]C(=O)[CH]C=C(O)CO(2687)'
+- name: C5H6O2(2772)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 937.09, 5000.0]
+ data:
+ - [1.07535955, 0.0432120402, 2.68627223e-05, -8.01616155e-08, 3.76567462e-11,
+ 1.14418272e+04, 20.3380813]
+ - [22.2621671, 6.37855144e-03, 2.01365466e-08, -2.41730881e-11, -7.2147823e-15,
+ 5117.47779, -93.0571593]
+ note: |-
+ Thermo group additivity estimation: group(O2s-Cs(Cds-Cd)) + group(O2s-CsH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsOsHH) + group(Cds-CdsCsH) +
+ group(Cds-CdsOsH) + group(Cdd-CdsCds) + ring(1,2-Cyclopentadiene)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 494.171
+ diameter: 6.56
+ note: Epsilon & sigma estimated with Tc=641.78 K, Pc=33.03 bar (from
+ Joback method)
+ note: OCC1C=C=CO1(2772)
+- name: C5H6O2(2848)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 786.59, 5000.0]
+ data:
+ - [0.920682696, 0.0722838631, -9.8999019e-05, 7.80025925e-08, -2.50675189e-11,
+ 1.41989365e+04, 24.2649181]
+ - [9.07931727, 0.0290508639, -1.3228732e-05, 2.48953408e-09, -1.71340757e-13,
+ 1.29694009e+04, -12.7942855]
+ note: |-
+ Thermo group additivity estimation: group(O2s-(Cds-Cd)(Cds-Cd)) + group(O2s-CsH) + group(Cs-(Cds-Cds)OsHH) + group(Cds-Cds(Cds-Cds)O2s) + group(Cds-
+ CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsOsH) + ring(oxirene)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 493.184
+ diameter: 6.487
+ note: Epsilon & sigma estimated with Tc=640.50 K, Pc=34.08 bar (from
+ Joback method)
+ note: OCC=CC1=CO1(2848)
+- name: C5H7O3(2938)
+ composition: {C: 5, H: 7, O: 3}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1394.01, 5000.0]
+ data:
+ - [0.156899335, 0.074613135, -6.81043774e-05, 3.02896822e-08, -5.27041637e-12,
+ -4.03728801e+04, 31.9069486]
+ - [19.6718211, 0.0186175216, -7.85223872e-06, 1.47535994e-09, -1.02974263e-13,
+ -4.58137658e+04, -68.7241327]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(O2s-(Cds-Cd)H) + group(Cs-(Cds-O2d)(Cds-Cds)HH) + group(Cs-(Cds-Cds)OsHH) + group(Cds-
+ CdsCsOs) + group(Cds-CdsCsH) + group(Cds-OdCsH) + radical(CCCJ=O)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 556.788
+ diameter: 7.241
+ note: Epsilon & sigma estimated with Tc=723.10 K, Pc=27.67 bar (from
+ Joback method)
+ note: O=[C]CC=C(O)CO(2938)
+- name: C4H7O2(2949)
+ composition: {C: 4, H: 7, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [10.0, 497.71, 3000.0]
+ data:
+ - [3.85658, 9.157e-03, 1.73908e-04, -3.8112e-07, 2.53113e-10, -2.74468e+04,
+ 12.2303]
+ - [2.43748, 0.0490671, -3.22805e-05, 1.01316e-08, -1.2109e-12, -2.76586e+04,
+ 14.5396]
+ note: 'Thermo library: 2FFOH_thermo'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 498.775
+ diameter: 6.718
+ note: Epsilon & sigma estimated with Tc=647.76 K, Pc=31.04 bar (from
+ Joback method)
+ note: '[CH2]C=C(O)CO(2949)'
+- name: C4H6O2(2973)
+ composition: {C: 4, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [10.0, 871.26, 3000.0]
+ data:
+ - [3.62897, 0.0319006, 5.7872e-06, -2.8866e-08, 1.33319e-11, -3.45532e+04,
+ 10.4487]
+ - [4.70926, 0.0374256, -2.17755e-05, 6.03618e-09, -6.46057e-13, -3.51394e+04,
+ 3.10201]
+ note: 'Thermo library: 2FFOH_thermo'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 470.703
+ diameter: 6.162
+ note: Epsilon & sigma estimated with Tc=611.30 K, Pc=37.96 bar (from
+ Joback method)
+ note: C=CC(=O)CO(2973)
+- name: C4H6O(2975)
+ composition: {C: 4, H: 6, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [10.0, 578.48, 3000.0]
+ data:
+ - [3.87319, 7.38066e-03, 1.30378e-04, -2.60397e-07, 1.5354e-10, -1.02603e+04,
+ 9.08241]
+ - [3.75418, 0.0379279, -2.59055e-05, 8.53444e-09, -1.06895e-12, -1.07438e+04,
+ 5.29269]
+ note: 'Thermo library: 2FFOH_thermo'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 422.415
+ diameter: 5.746
+ note: Epsilon & sigma estimated with Tc=548.59 K, Pc=42 bar (from Joback
+ method)
+ note: C=CC(=C)O(2975)
+- name: C5H6O2(3537)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 858.02, 5000.0]
+ data:
+ - [1.3739432, 0.0635191636, -6.93400522e-05, 4.42719749e-08, -1.21716572e-11,
+ -5870.10422, 20.4230679]
+ - [7.84226798, 0.0333649722, -1.66249779e-05, 3.31390888e-09, -2.37951416e-13,
+ -6980.11178, -9.79247933]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsOsHH) + group(Cd-CdCs(CO)) + group(Cds-CdsCsH) +
+ group(Cds-O2d(Cds-Cds)H) + ring(Cyclopropene)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 500.557
+ diameter: 6.514
+ note: Epsilon & sigma estimated with Tc=650.07 K, Pc=34.16 bar (from
+ Joback method)
+ note: O=CC1=CC1CO(3537)
+- name: C5H6O2(3538)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 918.67, 5000.0]
+ data:
+ - [1.48447718, 0.0236995699, 9.67327333e-05, -1.64078828e-07, 7.08361387e-11,
+ -2.96576158e+04, 18.6880249]
+ - [26.4694751, -3.03176862e-03, 6.39808761e-06, -1.29544686e-09, 7.83405518e-14,
+ -3.77107956e+04, -118.576375]
+ note: |-
+ Thermo group additivity estimation: group(O2s-Cs(Cds-Cd)) + group(O2s-CsH) + group(Cs-CsOsOsH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-Cds(Cds-Cds)H)
+ + group(Cds-CdsOsH) + group(Cds-CdsHH) + ring(Cyclopentane)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 492.651
+ diameter: 6.482
+ note: Epsilon & sigma estimated with Tc=639.81 K, Pc=34.12 bar (from
+ Joback method)
+ note: C=C1C=COC1O(3538)
+- name: C4H6O(3627)
+ composition: {C: 4, H: 6, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 949.67, 5000.0]
+ data:
+ - [2.70259844, 0.0110969165, 6.81826793e-05, -9.85594878e-08, 3.89718713e-11,
+ -3345.80704, 16.5309271]
+ - [12.9827949, 0.012044999, -3.20411875e-06, 6.15743821e-10, -5.1345411e-14,
+ -7293.69121, -43.0395263]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +
+ ring(Cyclobutene)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 445.489
+ diameter: 6.104
+ note: Epsilon & sigma estimated with Tc=578.56 K, Pc=36.95 bar (from
+ Joback method)
+ note: OC1C=CC1(3627)
+- name: C5H6O2(3810)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 904.45, 5000.0]
+ data:
+ - [1.23653308, 0.0200273928, 1.31859474e-04, -2.20367882e-07, 9.653863e-11,
+ -2.98647477e+04, 18.7181106]
+ - [33.8460517, -0.0168581654, 1.50255138e-05, -3.04143683e-09, 1.99694116e-13,
+ -4.01535457e+04, -159.598284]
+ note: |-
+ Thermo group additivity estimation: group(O2s-Cs(Cds-Cd)) + group(O2s-(Cds-Cd)H) + group(Cs-(Cds-Cds)OsHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-
+ Cds(Cds-Cds)H) + group(Cds-CdsOsH) + group(Cds-CdsOsH) + ring(Cyclopentane)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 506.351
+ diameter: 6.651
+ note: Epsilon & sigma estimated with Tc=657.60 K, Pc=32.47 bar (from
+ Joback method)
+ note: OC=C1C=COC1(3810)
+- name: C5H6O2(3988)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1090.1, 5000.0]
+ data:
+ - [1.67974493, 0.0410739109, -4.73627241e-06, -1.94142083e-08, 8.87750589e-12,
+ -2.1221782e+04, 22.2618565]
+ - [12.0686872, 0.0241785667, -1.06947416e-05, 2.09150454e-09, -1.50864501e-13,
+ -2.47479335e+04, -34.5395923]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsH) + group(Cs-(Cds-O2d)CsOsH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-O2d(Cds-
+ Cds)Cs) + group(Cd-Cd(CO)H) + ring(Cyclobutene)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 532.631
+ diameter: 6.614
+ note: Epsilon & sigma estimated with Tc=691.73 K, Pc=34.72 bar (from
+ Joback method)
+ note: CC1=CC(=O)C1O(3988)
+- name: C5H6O2(4237)
+ composition: {C: 5, H: 6, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 1259.29, 5000.0]
+ data:
+ - [0.454285173, 0.069774092, -6.8224981e-05, 3.38184758e-08, -6.56894754e-12,
+ 1.18521657e+04, 36.4513937]
+ - [16.7912973, 0.0178813715, -6.41316336e-06, 1.09540353e-09, -7.26202417e-14,
+ 7737.5544, -46.1317288]
+ note: |-
+ Thermo group additivity estimation: group(O2s-(Cds-Cd)H) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsOsH) + group(Cds-OdCsH) +
+ group(CsJ2_singlet-CsH)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 399.3
+ diameter: 5.949
+ note: Epsilon & sigma estimated with fixed Lennard Jones Parameters.
+ This is the fallback method! Try improving transport databases!
+ note: O=C[C]CC=CO(4237)
+- name: C5H5O4(4630)
+ composition: {C: 5, H: 5, O: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [100.0, 940.06, 5000.0]
+ data:
+ - [0.348844059, 0.0558707844, 1.77985061e-05, -8.20732602e-08, 4.03613265e-11,
+ -5.10732939e+04, 29.5390482]
+ - [26.83762, 4.86947464e-03, 7.11555843e-07, -1.25318754e-10, -2.6907803e-15,
+ -5.87801784e+04, -111.119359]
+ note: |-
+ Thermo group additivity estimation: group(O2s-CsCs) + group(O2s-Cs(Cds-O2d)) + group(O2s-CsH) + group(Cs-CsCsOsOs) + group(Cs-CsCsOsH) +
+ group(Cs-(Cds-O2d)CsHH) + group(Cs-CsOsHH) + group(Cds-OdCsOs) + polycyclic(s2_3_5_ene_side) + radical(CCJCO)
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 581.214
+ diameter: 7.435
+ note: Epsilon & sigma estimated with Tc=754.82 K, Pc=26.68 bar (from
+ Joback method)
+ note: O=C1[CH]C2OC2(CO)O1(4630)
+
+reactions:
+- equation: C5H6O2(1246) <=> furfuryl(1) # Reaction 1
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [8.982, 2.608, -0.06119, 4.264e-03]
+ - [-2.078, 0.9102, -0.04746, -5.726e-03]
+ - [-1.135, 0.3788, 0.03497, -9.012e-03]
+ - [-0.5172, 0.04758, 0.03672, 1.057e-03]
+ - [-0.1741, -0.04335, 7.522e-03, 4.243e-03]
+ - [-0.02923, -0.03139, -5.677e-03, 8.764e-04]
+ note: |-
+ Reaction index: Chemkin #1; RMG #6826
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), furfuryl(1);
+- equation: C5H6O2(1249) <=> furfuryl(1) # Reaction 2
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [9.633, 2.087, -0.06044, -0.02915]
+ - [-0.9128, 0.3177, -1.663e-03, 1.382e-03]
+ - [-0.5421, 0.2202, -7.378e-03, -4.37e-03]
+ - [-0.3542, 0.1353, 4.389e-03, -1.347e-03]
+ - [-0.2076, 0.05847, 7.6e-03, -1.911e-05]
+ - [-0.101, 0.0112, 5.541e-03, 5.905e-04]
+ note: |-
+ Reaction index: Chemkin #2; RMG #6862
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), furfuryl(1);
+- equation: C5H6O2(1274) <=> furfuryl(1) # Reaction 3
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-18.26, 3.531, -0.1858, -0.0387]
+ - [22.63, -0.4131, -0.09667, 0.0206]
+ - [-2.73, -0.02699, 0.0333, 0.02796]
+ - [-0.8213, 0.07001, 0.01462, -9.574e-03]
+ - [-0.292, 0.1033, 0.01651, -0.01345]
+ - [-0.05583, 0.02449, -2.677e-03, -6.135e-03]
+ note: |-
+ Reaction index: Chemkin #3; RMG #6912
+ PDep reaction: PDepNetwork #37
+ Flux pairs: C5H6O2(1274), furfuryl(1);
+- equation: OH(7) + C5H5O(1263) <=> furfuryl(1) # Reaction 4
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [13.05, 0.5232, -0.05963, 5.0e-03]
+ - [-1.426, 0.8046, -0.05521, -3.514e-03]
+ - [-0.9147, 0.3719, 0.02099, -8.817e-03]
+ - [-0.4537, 0.07825, 0.03236, -8.782e-04]
+ - [-0.1708, -0.02346, 0.01089, 3.445e-03]
+ - [-0.03984, -0.02738, -2.93e-03, 1.474e-03]
+ note: |-
+ Reaction index: Chemkin #4; RMG #15834
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), furfuryl(1); C5H5O(1263), furfuryl(1);
+- equation: O2(2) + furfuryl(1) <=> O2(2) + C5H6O2(1246) # Reaction 5
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-45.55, -8.527e-06, -5.95e-06, -3.359e-06]
+ - [40.92, 5.708e-06, 3.983e-06, 2.248e-06]
+ - [0.06766, -1.594e-07, -1.112e-07, -6.279e-08]
+ - [5.873e-03, 1.751e-08, 1.222e-08, 6.899e-09]
+ - [-5.376e-03, 1.753e-08, 1.223e-08, 6.904e-09]
+ - [-2.684e-03, 3.529e-09, 2.462e-09, 1.39e-09]
+ note: |-
+ Reaction index: Chemkin #5; RMG #6327
+ PDep reaction: PDepNetwork #34
+ Flux pairs: furfuryl(1), C5H6O2(1246); O2(2), O2(2);
+- equation: C5H6O2(1347) <=> furfuryl(1) # Reaction 6
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.771, 3.7, -0.1428, -0.04133]
+ - [2.932, -0.1662, -0.04488, 9.26e-03]
+ - [-2.596, 0.06937, 0.04191, 0.01691]
+ - [-0.7453, 0.06924, 7.825e-03, -0.01216]
+ - [-0.2608, 0.0803, 0.0155, -8.72e-03]
+ - [-0.04355, 0.01939, 4.545e-03, -9.443e-04]
+ note: |-
+ Reaction index: Chemkin #6; RMG #7456
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), furfuryl(1);
+- equation: C5H6O2(1346) <=> furfuryl(1) # Reaction 7
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.898, 3.706, -0.1408, -0.04123]
+ - [2.798, -0.1576, -0.0424, 9.134e-03]
+ - [-2.605, 0.0718, 0.04238, 0.01669]
+ - [-0.7442, 0.06802, 7.525e-03, -0.01212]
+ - [-0.2598, 0.07862, 0.01536, -8.465e-03]
+ - [-0.04415, 0.01882, 4.708e-03, -7.323e-04]
+ note: |-
+ Reaction index: Chemkin #7; RMG #7597
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), furfuryl(1);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(1274) # Reaction 8
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [13.67, 0.2299, -0.05185, 6.411e-03]
+ - [-0.3747, 0.3936, -0.07742, 4.314e-03]
+ - [-0.2655, 0.2572, -0.03204, -6.282e-03]
+ - [-0.1551, 0.1293, 1.689e-04, -9.114e-03]
+ - [-0.07896, 0.05107, 9.866e-03, -5.068e-03]
+ - [-0.03965, 0.0184, 6.694e-03, -3.353e-04]
+ note: |-
+ Reaction index: Chemkin #8; RMG #15837
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(1274); C5H5O(1263), C5H6O2(1274);
+- equation: C5H6O2(1346) <=> C5H6O2(1274) # Reaction 9
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [9.704, 2.315, -0.06236, 6.845e-03]
+ - [-0.8685, 0.5269, -0.08811, 2.411e-03]
+ - [-0.413, 0.3192, -0.02735, -0.01051]
+ - [-0.2016, 0.1374, 0.01007, -0.0116]
+ - [-0.08777, 0.04058, 0.01576, -4.504e-03]
+ - [-0.041, 0.01046, 7.864e-03, 1.276e-03]
+ note: |-
+ Reaction index: Chemkin #9; RMG #6975
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(1274);
+- equation: C5H6O2(1347) <=> C5H6O2(1274) # Reaction 10
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [9.716, 2.301, -0.06098, 6.822e-03]
+ - [-0.8399, 0.5057, -0.08699, 2.822e-03]
+ - [-0.3977, 0.3099, -0.0284, -9.816e-03]
+ - [-0.1971, 0.1367, 8.514e-03, -0.01127]
+ - [-0.08789, 0.04265, 0.01497, -4.653e-03]
+ - [-0.04144, 0.0119, 7.74e-03, 1.02e-03]
+ note: |-
+ Reaction index: Chemkin #10; RMG #6946
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(1274);
+- equation: C5H6O2(1246) <=> C5H6O2(1249) # Reaction 11
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [2.468, 2.71, -0.118, -0.02343]
+ - [-0.4719, 1.088, -9.096e-03, -5.742e-03]
+ - [-0.6529, 0.2893, 0.06181, -7.862e-03]
+ - [-0.3883, -0.06691, 0.03301, 7.167e-03]
+ - [-0.1325, -0.08572, -7.612e-03, 4.767e-03]
+ - [-0.02056, -0.02773, -0.0116, -9.476e-04]
+ note: |-
+ Reaction index: Chemkin #11; RMG #7037
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(1249);
+- equation: C5H6O2(1246) <=> C5H6O2(1274) # Reaction 12
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [0.4171, 3.712, -0.1386, -0.04107]
+ - [3.792, -0.1473, -0.03893, 9.318e-03]
+ - [-2.168, 0.07743, 0.04425, 0.01674]
+ - [-0.5622, 0.0696, 8.148e-03, -0.01206]
+ - [-0.2565, 0.07811, 0.01543, -8.313e-03]
+ - [-0.1072, 0.0179, 4.668e-03, -5.649e-04]
+ note: |-
+ Reaction index: Chemkin #12; RMG #7038
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(1274);
+- equation: C5H6O2(1246) <=> C5H6O2(1347) # Reaction 13
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.586, 3.832, -0.09284, -0.03471]
+ - [4.828, -2.425e-03, 0.01092, 0.0119]
+ - [-1.716, 0.08381, 0.04375, 0.01407]
+ - [-0.4024, 0.01101, -7.335e-03, -0.0101]
+ - [-0.2052, 0.02911, 7.412e-03, -2.599e-03]
+ - [-0.0997, 6.75e-03, 5.618e-03, 2.829e-03]
+ note: |-
+ Reaction index: Chemkin #13; RMG #7039
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(1347);
+- equation: C5H6O2(1346) <=> C5H6O2(1246) # Reaction 14
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.016, 3.836, -0.09117, -0.03435]
+ - [4.348, 1.55e-03, 0.01253, 0.01214]
+ - [-1.673, 0.08298, 0.04342, 0.014]
+ - [-0.384, 8.48e-03, -8.093e-03, -0.01005]
+ - [-0.1996, 0.02742, 7.03e-03, -2.446e-03]
+ - [-0.09854, 6.557e-03, 5.59e-03, 2.877e-03]
+ note: |-
+ Reaction index: Chemkin #14; RMG #7598
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(1246);
+- equation: C5H6O2(1246) <=> OH(7) + C5H5O(1263) # Reaction 15
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [3.836, 0.994, -0.09351, 7.86e-03]
+ - [1.281, 1.08, 0.02967, -0.01915]
+ - [-0.3949, 0.09873, 0.08798, 3.037e-03]
+ - [-0.2436, -0.1383, 4.032e-03, 0.01217]
+ - [-0.0613, -0.05686, -0.02448, 1.028e-04]
+ - [-3.153e-03, 5.444e-03, -9.284e-03, -3.692e-03]
+ note: |-
+ Reaction index: Chemkin #15; RMG #7041
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), OH(7); C5H6O2(1246), C5H5O(1263);
+- equation: C5H6O2(1249) <=> C5H6O2(1274) # Reaction 16
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.547, 3.544, -0.2184, -0.06911]
+ - [10.1, -0.2568, -0.06135, 0.01701]
+ - [-2.361, 0.03256, 0.0348, 0.01884]
+ - [-0.7112, 0.08394, 0.01295, -0.01193]
+ - [-0.3081, 0.1004, 0.01753, -0.0114]
+ - [-0.1059, 0.02475, 1.712e-03, -3.463e-03]
+ note: |-
+ Reaction index: Chemkin #16; RMG #7177
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), C5H6O2(1274);
+- equation: C5H6O2(1347) <=> C5H6O2(1249) # Reaction 17
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.202, 3.693, -0.1708, -0.06677]
+ - [4.124, -0.05467, -4.746e-03, 0.01374]
+ - [-2.03, 0.0833, 0.0423, 0.01317]
+ - [-0.572, 0.04714, 2.668e-03, -0.01113]
+ - [-0.2604, 0.05555, 0.01265, -5.129e-03]
+ - [-0.09819, 0.01003, 5.26e-03, 1.649e-03]
+ note: |-
+ Reaction index: Chemkin #17; RMG #7458
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(1249);
+- equation: C5H6O2(1346) <=> C5H6O2(1249) # Reaction 18
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.068, 3.697, -0.1688, -0.06649]
+ - [4.001, -0.04853, -2.554e-03, 0.0139]
+ - [-2.033, 0.0837, 0.0424, 0.01312]
+ - [-0.5692, 0.04473, 2.077e-03, -0.01101]
+ - [-0.2592, 0.05344, 0.01231, -4.874e-03]
+ - [-0.0993, 9.474e-03, 5.276e-03, 1.802e-03]
+ note: |-
+ Reaction index: Chemkin #18; RMG #7599
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(1249);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(1249) # Reaction 19
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [6.393, 0.6408, -0.1159, -0.02348]
+ - [0.01955, 1.038, -0.02044, -4.534e-03]
+ - [-0.4859, 0.3406, 0.05015, -9.824e-03]
+ - [-0.369, -0.01591, 0.03702, 4.615e-03]
+ - [-0.1549, -0.07315, -2.369e-05, 5.041e-03]
+ - [-0.03764, -0.03386, -9.214e-03, -2.797e-05]
+ note: |-
+ Reaction index: Chemkin #19; RMG #15836
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(1249); C5H5O(1263), C5H6O2(1249);
+- equation: C5H6O2(1346) <=> C5H6O2(1347) # Reaction 20
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [4.216, 2.613, -0.06969, 8.941e-03]
+ - [2.069, 0.9187, -0.06717, -8.23e-03]
+ - [-0.1181, 0.3776, 0.01651, -0.02501]
+ - [-0.1363, 0.03637, 0.03383, -0.01051]
+ - [-0.0126, -0.04548, 0.01972, 5.02e-03]
+ - [-6.72e-03, -0.01989, 7.832e-03, 6.303e-03]
+ note: |-
+ Reaction index: Chemkin #20; RMG #7600
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(1347);
+- equation: C5H6O2(1347) <=> OH(7) + C5H5O(1263) # Reaction 21
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [6.411, 0.548, -0.07268, 7.709e-03]
+ - [2.155, 0.8461, -0.08051, -6.113e-03]
+ - [-0.08794, 0.3861, 5.227e-03, -0.02278]
+ - [-0.1766, 0.07099, 0.03236, -0.01284]
+ - [-0.03645, -0.025, 0.02101, 1.949e-03]
+ - [-2.885e-03, -0.01562, 8.106e-03, 5.539e-03]
+ note: |-
+ Reaction index: Chemkin #21; RMG #7460
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), OH(7); C5H6O2(1347), C5H5O(1263);
+- equation: C5H6O2(1346) <=> OH(7) + C5H5O(1263) # Reaction 22
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [6.469, 0.5588, -0.07227, 7.844e-03]
+ - [2.099, 0.859, -0.07853, -6.497e-03]
+ - [-0.09892, 0.3858, 7.135e-03, -0.0232]
+ - [-0.1739, 0.06569, 0.03281, -0.01256]
+ - [-0.03309, -0.02854, 0.02087, 2.428e-03]
+ - [-2.879e-03, -0.01662, 8.078e-03, 5.702e-03]
+ note: |-
+ Reaction index: Chemkin #22; RMG #7601
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), OH(7); C5H6O2(1346), C5H5O(1263);
+- equation: OH(7) + furfuryl(1) <=> OH(7) + C5H6O2(1246) # Reaction 23
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-21.1, -3.32e-03, -2.3e-03, -1.281e-03]
+ - [24.9, -8.252e-04, -5.713e-04, -3.176e-04]
+ - [0.1649, 8.615e-04, 5.876e-04, 3.17e-04]
+ - [-0.01929, 8.607e-04, 5.935e-04, 3.273e-04]
+ - [-0.02148, 3.494e-04, 2.461e-04, 1.414e-04]
+ - [-0.01591, 2.05e-04, 1.445e-04, 8.318e-05]
+ note: |-
+ Reaction index: Chemkin #23; RMG #7734
+ PDep reaction: PDepNetwork #46
+ Flux pairs: furfuryl(1), C5H6O2(1246); OH(7), OH(7);
+- equation: C5H6O4(1283) <=> O2(2) + furfuryl(1) # Reaction 24
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [9.811, 1.818, -0.09118, -0.02642]
+ - [0.03356, 0.2345, 0.1112, 0.02689]
+ - [-0.1743, -0.04685, -0.01471, 2.626e-03]
+ - [-0.01633, -0.01213, -8.329e-03, -3.698e-03]
+ - [-3.006e-04, 1.977e-03, 7.318e-05, -8.46e-04]
+ - [-2.431e-03, 1.878e-03, 1.031e-03, 2.754e-04]
+ note: |-
+ Reaction index: Chemkin #24; RMG #10134
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), O2(2); C5H6O4(1283), furfuryl(1);
+- equation: furfuryl(1) <=> OH(7) + C5H5O(1296) # Reaction 25
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-29.62, 1.135, -0.1075, -0.04679]
+ - [33.07, 0.2594, -0.1208, 0.04658]
+ - [0.1088, -0.05439, 0.0478, -0.01376]
+ - [-0.1838, 0.192, 6.061e-04, -0.02266]
+ - [-0.09365, 0.1031, -0.02127, 3.232e-03]
+ - [-0.0101, -0.01614, 0.01398, 6.216e-05]
+ note: |-
+ Reaction index: Chemkin #25; RMG #6169
+ PDep reaction: PDepNetwork #28
+ Flux pairs: furfuryl(1), OH(7); furfuryl(1), C5H5O(1296);
+- equation: C5H6O2(1246) <=> OH(7) + C5H5O(1296) # Reaction 26
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.176, 1.999, -4.258e-04, -1.76e-04]
+ - [8.825, 3.273e-04, 1.631e-04, 3.883e-05]
+ - [-2.216e-03, 7.82e-04, 5.097e-04, 2.46e-04]
+ - [2.685e-03, -2.543e-04, -1.472e-04, -5.153e-05]
+ - [7.582e-03, -4.07e-04, -2.592e-04, -1.221e-04]
+ - [3.608e-03, 2.13e-04, 1.128e-04, 3.053e-05]
+ note: |-
+ Reaction index: Chemkin #26; RMG #6836
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), OH(7); C5H6O2(1246), C5H5O(1296);
+- equation: C5H5O(1296) <=> C5H5O(1263) # Reaction 27
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-0.1424, 1.762, -0.2802, -0.02988]
+ - [6.041, 0.6085, 9.889e-05, 0.02172]
+ - [-0.4785, 0.2753, -0.02281, 4.869e-03]
+ - [-0.2597, 0.1414, 2.798e-03, -7.117e-03]
+ - [-0.1121, 0.0417, 0.01066, -4.93e-03]
+ - [-0.02375, -6.483e-03, 6.192e-03, -1.382e-03]
+ note: |-
+ Reaction index: Chemkin #27; RMG #8078
+ PDep reaction: PDepNetwork #56
+ Flux pairs: C5H5O(1296), C5H5O(1263);
+- equation: C5H6O2(1346) <=> OH(7) + C5H5O(1296) # Reaction 28
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.085, 1.974, -0.01486, -5.609e-03]
+ - [10.17, -0.03715, -0.02099, -8.056e-03]
+ - [0.7393, -6.526e-03, -4.435e-03, -2.303e-03]
+ - [0.1658, 0.01496, 6.925e-03, 1.445e-03]
+ - [-0.08743, 0.01942, 9.451e-03, 2.409e-03]
+ - [-0.1076, 0.01126, 5.734e-03, 1.675e-03]
+ note: |-
+ Reaction index: Chemkin #28; RMG #6985
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), OH(7); C5H6O2(1346), C5H5O(1296);
+- equation: C5H6O2(1249) <=> OH(7) + C5H5O(1296) # Reaction 29
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-13.29, 1.85, -0.09308, -0.04232]
+ - [15.24, 0.09939, 0.05466, 0.01846]
+ - [-0.5547, -0.01426, -2.627e-03, 4.13e-03]
+ - [-0.1536, -2.995e-03, -5.282e-03, -5.133e-03]
+ - [-0.02194, -8.682e-03, -3.899e-03, -5.321e-04]
+ - [-0.04208, 0.01488, 8.19e-03, 2.699e-03]
+ note: |-
+ Reaction index: Chemkin #29; RMG #7216
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), OH(7); C5H6O2(1249), C5H5O(1296);
+- equation: C5H6O2(1274) <=> OH(7) + C5H5O(1296) # Reaction 30
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-26.84, 1.88, -0.06211, -0.02007]
+ - [30.64, -0.09775, -0.0415, -6.602e-03]
+ - [0.1934, -0.01726, -7.932e-03, -1.921e-03]
+ - [-0.104, 0.02696, 6.921e-03, -2.571e-03]
+ - [-0.1885, 0.0665, 0.02755, 4.106e-03]
+ - [-0.09072, 0.03454, 0.01344, 1.374e-03]
+ note: |-
+ Reaction index: Chemkin #30; RMG #7359
+ PDep reaction: PDepNetwork #37
+ Flux pairs: C5H6O2(1274), OH(7); C5H6O2(1274), C5H5O(1296);
+- equation: C5H6O2(1347) <=> OH(7) + C5H5O(1296) # Reaction 31
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.161, 1.95, -0.02961, -0.01236]
+ - [11.52, -0.01714, -7.808e-03, -1.53e-03]
+ - [0.4906, 1.258e-03, 2.577e-04, -3.305e-04]
+ - [0.06832, 3.416e-03, -4.821e-04, -1.958e-03]
+ - [-0.09791, 0.02515, 0.01253, 3.412e-03]
+ - [-0.07537, 0.01373, 7.196e-03, 2.271e-03]
+ note: |-
+ Reaction index: Chemkin #31; RMG #7525
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), OH(7); C5H6O2(1347), C5H5O(1296);
+- equation: C5H6O4(1280) <=> O2(2) + furfuryl(1) # Reaction 32
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [6.794, 1.66, -0.1668, -0.04071]
+ - [3.816, 0.3465, 0.158, 0.02808]
+ - [-0.7446, 0.01815, 0.02053, 0.01442]
+ - [-0.1863, -0.01628, -6.937e-03, -2.071e-04]
+ - [-0.0247, -7.9e-03, -4.596e-03, -1.622e-03]
+ - [3.742e-03, -3.502e-03, -2.144e-03, -8.913e-04]
+ note: |-
+ Reaction index: Chemkin #32; RMG #10173
+ PDep reaction: PDepNetwork #102
+ Flux pairs: C5H6O4(1280), O2(2); C5H6O4(1280), furfuryl(1);
+- equation: O2(2) + furfuryl(1) <=> C5H6O4(1523) # Reaction 33
+ duplicate: true
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.678, -0.1621, -0.08321, -0.0256]
+ - [9.707, 0.213, 0.1038, 0.02725]
+ - [0.2335, -0.04854, -0.01698, 1.088e-03]
+ - [0.108, -8.5e-03, -6.8e-03, -3.624e-03]
+ - [0.03586, 2.622e-03, 6.661e-04, -4.902e-04]
+ - [0.01053, 1.49e-03, 9.41e-04, 3.59e-04]
+ note: |-
+ Reaction index: Chemkin #33; RMG #6647
+ PDep reaction: PDepNetwork #32
+ Flux pairs: O2(2), C5H6O4(1523); furfuryl(1), C5H6O4(1523);
+- equation: O2(2) + furfuryl(1) <=> C5H6O4(1523) # Reaction 34
+ duplicate: true
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.278, 0.6151, -0.4415, -0.02206]
+ - [8.859, 0.2752, 0.2025, 0.04691]
+ - [-0.3176, 0.3979, 0.03327, -0.0299]
+ - [-0.1315, 0.1783, -6.002e-03, -0.0131]
+ - [-0.1133, 0.05059, 0.01638, -2.271e-03]
+ - [-0.09218, 8.429e-03, 0.01672, -8.537e-04]
+ note: |-
+ Reaction index: Chemkin #34; RMG #7889
+ PDep reaction: PDepNetwork #29
+ Flux pairs: O2(2), C5H6O4(1523); furfuryl(1), C5H6O4(1523);
+- equation: C5H6O4(1283) <=> C5H6O4(1523) # Reaction 35
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [5.36, 2.307, -0.4171, 0.02519]
+ - [-1.831, 0.6217, 0.2303, -8.943e-03]
+ - [-0.5943, 0.4338, -0.01176, -0.02736]
+ - [-0.1227, 0.1302, -0.01841, -6.245e-03]
+ - [-0.09693, 0.03072, 0.0209, -6.262e-03]
+ - [-0.1008, 0.01308, 0.01938, -2.73e-03]
+ note: |-
+ Reaction index: Chemkin #35; RMG #10137
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), C5H6O4(1523);
+- equation: C5H6O4(1280) <=> C5H6O4(1523) # Reaction 36
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [6.957, 1.592, -0.3791, 6.995e-03]
+ - [-1.551, 0.7414, 7.381e-03, -5.251e-03]
+ - [-0.4828, 0.2498, 0.02253, 0.01423]
+ - [-0.2405, 0.1057, 0.01382, 3.004e-03]
+ - [-0.1874, 0.04522, 8.805e-03, -2.628e-03]
+ - [-0.1278, 0.01886, 4.604e-03, -2.943e-03]
+ note: |-
+ Reaction index: Chemkin #36; RMG #10177
+ PDep reaction: PDepNetwork #102
+ Flux pairs: C5H6O4(1280), C5H6O4(1523);
+- equation: O2(2) + C5H6O2(1274) <=> O2(2) + C5H6O2(1346) # Reaction 37
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-40.12, -8.491e-06, -5.924e-06, -3.345e-06]
+ - [37.32, 5.694e-06, 3.973e-06, 2.243e-06]
+ - [0.04841, -1.613e-07, -1.125e-07, -6.353e-08]
+ - [-1.799e-03, 1.595e-08, 1.113e-08, 6.284e-09]
+ - [-3.517e-03, 1.754e-08, 1.224e-08, 6.911e-09]
+ - [-2.488e-03, 3.521e-09, 2.457e-09, 1.387e-09]
+ note: |-
+ Reaction index: Chemkin #37; RMG #8353
+ PDep reaction: PDepNetwork #52
+ Flux pairs: C5H6O2(1274), C5H6O2(1346); O2(2), O2(2);
+- equation: C5H6O4(1707) <=> O2(2) + furfuryl(1) # Reaction 38
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.393, 0.6962, -0.4257, -0.02481]
+ - [10.52, 0.3487, 0.2161, 0.04481]
+ - [-0.8238, 0.4223, 0.0418, -0.0326]
+ - [-0.3326, 0.185, -1.396e-04, -0.01453]
+ - [-0.1264, 0.04764, 0.01955, -9.451e-04]
+ - [-0.04973, 1.046e-03, 0.01759, 1.256e-03]
+ note: |-
+ Reaction index: Chemkin #38; RMG #8664
+ PDep reaction: PDepNetwork #58
+ Flux pairs: C5H6O4(1707), O2(2); C5H6O4(1707), furfuryl(1);
+- equation: C5H6O4(1707) <=> C5H6O4(1523) # Reaction 39
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [9.207, 2.127, -0.04734, 0.01127]
+ - [-1.703, 0.2331, -0.08372, 0.01851]
+ - [-0.6543, 0.1814, -0.05767, 9.401e-03]
+ - [-0.1743, 0.1215, -0.02973, 8.624e-04]
+ - [-0.05986, 0.07102, -9.153e-03, -3.858e-03]
+ - [-0.05644, 0.03648, 1.843e-03, -4.791e-03]
+ note: |-
+ Reaction index: Chemkin #39; RMG #8569
+ PDep reaction: PDepNetwork #58
+ Flux pairs: C5H6O4(1707), C5H6O4(1523);
+- equation: C5H6O4(1634) <=> O2(2) + furfuryl(1) # Reaction 40
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.9, 1.622, -0.1855, -0.04536]
+ - [12.01, 0.3383, 0.1503, 0.02306]
+ - [-0.5786, 0.03856, 0.03045, 0.01643]
+ - [-0.3069, -3.431e-03, 6.325e-04, 2.676e-03]
+ - [-0.1768, -3.408e-03, -1.676e-03, -2.409e-04]
+ - [-0.07557, -2.775e-03, -1.493e-03, -4.345e-04]
+ note: |-
+ Reaction index: Chemkin #40; RMG #10538
+ PDep reaction: PDepNetwork #103
+ Flux pairs: C5H6O4(1634), O2(2); C5H6O4(1634), furfuryl(1);
+- equation: C5H6O4(1634) <=> C5H6O4(1523) # Reaction 41
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.484, 1.459, -0.3999, -1.426e-03]
+ - [6.445, 0.611, -3.025e-03, -8.003e-03]
+ - [-0.3134, 0.201, 0.0111, 0.0135]
+ - [-0.2759, 0.08734, 6.997e-03, 6.177e-03]
+ - [-0.2742, 0.03765, 5.794e-03, 9.657e-04]
+ - [-0.178, 0.01502, 3.604e-03, -6.968e-04]
+ note: |-
+ Reaction index: Chemkin #41; RMG #10232
+ PDep reaction: PDepNetwork #103
+ Flux pairs: C5H6O4(1634), C5H6O4(1523);
+- equation: C5H6O4(1283) <=> C5H6O4(1707) # Reaction 42
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [7.73, 2.404, -0.4036, 0.02071]
+ - [-1.408, 0.6929, 0.2371, -0.012]
+ - [-0.7411, 0.4435, -8.215e-03, -0.03034]
+ - [-0.2164, 0.1263, -9.171e-03, -6.234e-03]
+ - [-0.08966, 0.02583, 0.02974, -3.869e-03]
+ - [-0.05977, 7.987e-03, 0.02266, -2.402e-04]
+ note: |-
+ Reaction index: Chemkin #42; RMG #10282
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), C5H6O4(1707);
+- equation: C5H6O4(1280) <=> C5H6O4(1707) # Reaction 43
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [8.793, 1.68, -0.3737, 6.433e-03]
+ - [-0.937, 0.8225, 0.02435, -1.766e-03]
+ - [-0.6655, 0.2846, 0.03524, 0.01299]
+ - [-0.3848, 0.1223, 0.01974, -3.932e-04]
+ - [-0.1889, 0.0542, 0.01011, -5.302e-03]
+ - [-0.07551, 0.02325, 4.891e-03, -4.161e-03]
+ note: |-
+ Reaction index: Chemkin #43; RMG #10408
+ PDep reaction: PDepNetwork #102
+ Flux pairs: C5H6O4(1280), C5H6O4(1707);
+- equation: C5H6O4(1634) <=> C5H6O4(1707) # Reaction 44
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.774, 1.537, -0.3938, 1.379e-04]
+ - [6.945, 0.6906, 8.529e-03, -2.376e-03]
+ - [-0.487, 0.2367, 0.01839, 0.01486]
+ - [-0.3958, 0.1009, 0.01135, 4.786e-03]
+ - [-0.2712, 0.04239, 7.953e-03, -9.476e-04]
+ - [-0.1328, 0.01701, 4.48e-03, -2.042e-03]
+ note: |-
+ Reaction index: Chemkin #44; RMG #10536
+ PDep reaction: PDepNetwork #103
+ Flux pairs: C5H6O4(1634), C5H6O4(1707);
+- equation: OH(7) + furfuryl(1) <=> H2O(9) + C5H5O2(1266) # Reaction 45
+ rate-constant: {A: 125.7458, b: 3.312, Ea: -2.924}
+ note: |-
+ Reaction index: Chemkin #45; RMG #6741
+ Template reaction: H_Abstraction
+ Flux pairs: OH(7), H2O(9); furfuryl(1), C5H5O2(1266);
+ Estimated using template [C/H2/OneDe;O_pri_rad] for rate rule [C/H2/OneDeO;O_pri_rad]
+ Euclidian distance = 1.0
+ Multiplied by reaction path degeneracy 2.0
+ family: H_Abstraction
+- equation: OH(7) + furfuryl(1) <=> H2O(9) + C5H5O2(1266) # Reaction 46
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [0.8469, -0.01075, -7.311e-03, -3.928e-03]
+ - [7.846, 3.688e-03, 2.572e-03, 1.447e-03]
+ - [0.3673, 5.818e-03, 3.864e-03, 1.979e-03]
+ - [0.07567, -1.333e-04, -1.408e-04, -1.254e-04]
+ - [0.02722, -1.691e-03, -1.113e-03, -5.589e-04]
+ - [8.686e-03, -5.347e-04, -3.334e-04, -1.492e-04]
+ note: |-
+ Reaction index: Chemkin #46; RMG #8829
+ PDep reaction: PDepNetwork #41
+ Flux pairs: furfuryl(1), C5H5O2(1266); OH(7), H2O(9);
+- equation: OH(7) + HO2(10) <=> O2(2) + H2O(9) # Reaction 47
+ rate-constant: {A: 2.14e+06, b: 1.65, Ea: 2.18}
+ note: |-
+ Reaction index: Chemkin #47; RMG #17
+ Library reaction: primaryH2O2
+ Flux pairs: HO2(10), O2(2); OH(7), H2O(9);
+- equation: HO2(10) + C5H5O2(1266) <=> O2(2) + furfuryl(1) # Reaction 48
+ rate-constant: {A: 5.257006e-03, b: 4.406, Ea: 19.662}
+ note: |-
+ Reaction index: Chemkin #48; RMG #6089
+ Template reaction: H_Abstraction
+ Flux pairs: HO2(10), O2(2); C5H5O2(1266), furfuryl(1);
+ Estimated using template [X_H;C_rad/H/OneDe] for rate rule [Orad_O_H;C_rad/H/OneDeO]
+ Euclidian distance = 2.23606797749979
+ family: H_Abstraction
+- equation: O2(2) + furfuryl(1) <=> HO2(10) + C5H5O2(1266) # Reaction 49
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-10.57, -0.0313, -0.0209, -0.01082]
+ - [14.43, 0.03816, 0.02528, 0.01288]
+ - [0.5288, -7.461e-03, -4.736e-03, -2.192e-03]
+ - [0.1367, 1.84e-04, 3.88e-05, -6.615e-05]
+ - [0.02747, -1.493e-04, -8.238e-05, -2.556e-05]
+ - [8.332e-03, -1.15e-04, -8.011e-05, -4.468e-05]
+ note: |-
+ Reaction index: Chemkin #49; RMG #7869
+ PDep reaction: PDepNetwork #29
+ Flux pairs: furfuryl(1), C5H5O2(1266); O2(2), HO2(10);
+- equation: C5H6O4(1523) <=> HO2(10) + C5H5O2(1266) # Reaction 50
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-21.79, 1.314, -0.2797, -0.04963]
+ - [20.98, -0.1578, 9.29e-03, 0.04918]
+ - [-0.2941, 0.3261, 0.08772, -0.01901]
+ - [-0.212, 0.2094, 0.02427, -0.02513]
+ - [-0.1576, 0.04637, 9.621e-03, 1.809e-03]
+ - [-0.0914, -0.01277, 0.01157, 8.184e-03]
+ note: |-
+ Reaction index: Chemkin #50; RMG #8236
+ PDep reaction: PDepNetwork #57
+ Flux pairs: C5H6O4(1523), HO2(10); C5H6O4(1523), C5H5O2(1266);
+- equation: C5H6O4(1707) <=> HO2(10) + C5H5O2(1266) # Reaction 51
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-15.64, 1.357, -0.2685, -0.05096]
+ - [15.27, -0.1039, 0.02216, 0.04659]
+ - [-0.4628, 0.3433, 0.09641, -0.01757]
+ - [-0.312, 0.2076, 0.02978, -0.02244]
+ - [-0.1411, 0.03866, 0.01097, 3.689e-03]
+ - [-0.03945, -0.01992, 0.01021, 9.197e-03]
+ note: |-
+ Reaction index: Chemkin #51; RMG #8727
+ PDep reaction: PDepNetwork #58
+ Flux pairs: C5H6O4(1707), HO2(10); C5H6O4(1707), C5H5O2(1266);
+- equation: O2(2) + C5H5O2(1266) <=> HO2(10) + C5H4O2(1924) # Reaction 52
+ rate-constant: {A: 1.14418e+13, b: 0.0, Ea: 1.176}
+ note: |-
+ Reaction index: Chemkin #52; RMG #8968
+ Template reaction: Disproportionation
+ Flux pairs: C5H5O2(1266), C5H4O2(1924); O2(2), HO2(10);
+ Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0
+ Multiplied by reaction path degeneracy 2.0
+- equation: C5H5O2(1266) <=> CO(49) + C4H5O(1980) # Reaction 53
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.337, -0.6096, -0.2521, -0.01062]
+ - [12.42, 1.141, 2.36e-03, -0.01396]
+ - [-0.3476, 0.4305, 4.876e-03, 3.753e-03]
+ - [-0.1321, 0.1608, 8.823e-03, -1.939e-03]
+ - [-0.06408, 0.02775, 0.01059, -3.947e-03]
+ - [-0.03102, -0.01298, 4.314e-03, -1.532e-03]
+ note: |-
+ Reaction index: Chemkin #53; RMG #9077
+ PDep reaction: PDepNetwork #59
+ Flux pairs: C5H5O2(1266), CO(49); C5H5O2(1266), C4H5O(1980);
+- equation: C5H5O2(1266) + C5H5O2(1266) <=> C5H4O2(1924) + furfuryl(1) # Reaction 54
+ rate-constant: {A: 2.85561e+13, b: -0.375, Ea: 2.187}
+ note: |-
+ Reaction index: Chemkin #54; RMG #9671
+ Template reaction: Disproportionation
+ Flux pairs: C5H5O2(1266), furfuryl(1); C5H5O2(1266), C5H4O2(1924);
+ Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R
+- equation: C5H6O4(1280) <=> HO2(10) + C5H5O2(1266) # Reaction 55
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.979, 1.956, -0.02951, -0.01509]
+ - [8.493, 0.04426, 0.02912, 0.01462]
+ - [-0.2195, -1.735e-03, -8.942e-04, -1.866e-04]
+ - [-0.09039, 2.056e-03, 1.265e-03, 5.463e-04]
+ - [-0.02988, -4.224e-04, -2.532e-04, -1.015e-04]
+ - [-2.669e-03, -8.526e-04, -5.507e-04, -2.656e-04]
+ note: |-
+ Reaction index: Chemkin #55; RMG #10174
+ PDep reaction: PDepNetwork #102
+ Flux pairs: C5H6O4(1280), HO2(10); C5H6O4(1280), C5H5O2(1266);
+- equation: C5H6O4(1280) <=> C5H6O4(1634) # Reaction 56
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [5.271, 3.277, -0.2865, -0.03582]
+ - [-1.062, 0.4389, 0.1095, -0.02872]
+ - [-0.4699, 0.09674, 0.06037, 0.01502]
+ - [-0.3461, 0.03187, 0.0237, 0.0114]
+ - [-0.2471, 0.01114, 8.609e-03, 5.103e-03]
+ - [-0.1244, 2.762e-03, 2.363e-03, 1.663e-03]
+ note: |-
+ Reaction index: Chemkin #56; RMG #10176
+ PDep reaction: PDepNetwork #102
+ Flux pairs: C5H6O4(1280), C5H6O4(1634);
+- equation: C5H6O4(1828) <=> O2(2) + furfuryl(1) # Reaction 57
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.307, 1.64, -0.1766, -0.04326]
+ - [8.433, 0.3443, 0.155, 0.02581]
+ - [-0.6965, 0.02938, 0.02616, 0.01574]
+ - [-0.2576, -9.925e-03, -3.111e-03, 1.326e-03]
+ - [-0.07532, -5.982e-03, -3.296e-03, -9.612e-04]
+ - [-0.01642, -3.443e-03, -1.983e-03, -7.127e-04]
+ note: |-
+ Reaction index: Chemkin #57; RMG #11287
+ PDep reaction: PDepNetwork #105
+ Flux pairs: C5H6O4(1828), O2(2); C5H6O4(1828), furfuryl(1);
+- equation: C5H6O4(1828) <=> C5H6O4(1523) # Reaction 58
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.594, 1.528, -0.3956, -3.692e-04]
+ - [3.029, 0.6728, 5.536e-03, -3.01e-03]
+ - [-0.4143, 0.2261, 0.01612, 0.01449]
+ - [-0.2582, 0.09587, 9.969e-03, 4.805e-03]
+ - [-0.2013, 0.04023, 7.246e-03, -7.176e-04]
+ - [-0.1333, 0.01604, 4.149e-03, -1.815e-03]
+ note: |-
+ Reaction index: Chemkin #58; RMG #11283
+ PDep reaction: PDepNetwork #105
+ Flux pairs: C5H6O4(1828), C5H6O4(1523);
+- equation: C5H6O4(1828) <=> C5H6O4(1707) # Reaction 59
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-0.8079, 1.611, -0.3886, 1.074e-03]
+ - [3.585, 0.7534, 0.02026, 1.798e-03]
+ - [-0.5936, 0.2612, 0.02657, 0.01472]
+ - [-0.3922, 0.111, 0.01585, 2.706e-03]
+ - [-0.2027, 0.04756, 9.597e-03, -2.795e-03]
+ - [-0.0855, 0.01999, 4.94e-03, -3.003e-03]
+ note: |-
+ Reaction index: Chemkin #59; RMG #11285
+ PDep reaction: PDepNetwork #105
+ Flux pairs: C5H6O4(1828), C5H6O4(1707);
+- equation: C5H6O4(1828) <=> C5H6O4(1634) # Reaction 60
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [8.588, 2.825, -0.03662, -8.67e-03]
+ - [-2.32, 0.8771, 0.02053, -6.856e-03]
+ - [-0.8825, 0.2855, 9.159e-03, 6.302e-03]
+ - [-0.3089, 0.06225, -3.329e-03, 4.714e-03]
+ - [-0.1202, -0.01015, -7.961e-04, 2.1e-03]
+ - [-0.04542, -0.02565, 1.862e-03, 7.669e-04]
+ note: |-
+ Reaction index: Chemkin #60; RMG #11005
+ PDep reaction: PDepNetwork #105
+ Flux pairs: C5H6O4(1828), C5H6O4(1634);
+- equation: C5H6O4(1283) <=> C5H6O4(1280) # Reaction 61
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-0.8758, 2.032, -0.5816, -0.01455]
+ - [-1.024, 0.9457, 0.3802, 0.02143]
+ - [-0.501, 0.4455, 0.02011, -0.01544]
+ - [-0.1769, 0.1295, -0.01394, -7.632e-03]
+ - [-0.08567, 0.03774, 0.01931, -8.075e-03]
+ - [-0.04739, 0.01578, 0.01645, -3.721e-03]
+ note: |-
+ Reaction index: Chemkin #61; RMG #10281
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), C5H6O4(1280);
+- equation: C5H6O4(1283) <=> C5H6O4(1634) # Reaction 62
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.189, 1.868, -0.6115, -8.096e-03]
+ - [-0.2346, 0.8681, 0.38, 0.03033]
+ - [-0.2384, 0.4516, 0.03449, -5.754e-04]
+ - [-0.2135, 0.1356, -9.903e-03, 2.262e-03]
+ - [-0.1893, 0.04039, 0.01684, -6.071e-03]
+ - [-0.1072, 0.02043, 0.01267, -6.425e-03]
+ note: |-
+ Reaction index: Chemkin #62; RMG #10283
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), C5H6O4(1634);
+- equation: C5H6O4(1283) <=> C5H6O4(1828) # Reaction 63
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-4.195, 1.973, -0.5832, -5.757e-03]
+ - [-0.6313, 0.9561, 0.4069, 0.03645]
+ - [-0.549, 0.4848, 0.04598, -1.044e-03]
+ - [-0.2283, 0.1534, -2.753e-03, -2.97e-04]
+ - [-0.1059, 0.04634, 0.01934, -8.405e-03]
+ - [-0.05359, 0.01562, 0.01062, -8.396e-03]
+ note: |-
+ Reaction index: Chemkin #63; RMG #10284
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), C5H6O4(1828);
+- equation: C5H6O4(1283) <=> HO2(10) + C5H5O2(1266) # Reaction 64
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-9.405, 1.455, -0.2496, -0.06063]
+ - [5.807, 0.02686, 0.06083, 0.04702]
+ - [0.09527, 0.3418, 0.109, -9.926e-03]
+ - [-0.1316, 0.1677, 0.03594, -0.01252]
+ - [-0.08141, 2.211e-03, 7.11e-03, 8.095e-03]
+ - [-0.0129, -0.04108, 1.515e-03, 9.758e-03]
+ note: |-
+ Reaction index: Chemkin #64; RMG #10285
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), HO2(10); C5H6O4(1283), C5H5O2(1266);
+- equation: C5H6O4(1280) <=> C5H6O4(1828) # Reaction 65
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [5.724, 3.321, -0.2731, -0.03558]
+ - [-1.208, 0.4564, 0.1271, -0.02139]
+ - [-0.744, 0.09769, 0.06484, 0.01931]
+ - [-0.3816, 0.02991, 0.02312, 0.01218]
+ - [-0.1764, 8.898e-03, 6.874e-03, 4.438e-03]
+ - [-0.06858, 8.678e-04, 8.975e-04, 8.968e-04]
+ note: |-
+ Reaction index: Chemkin #65; RMG #10409
+ PDep reaction: PDepNetwork #102
+ Flux pairs: C5H6O4(1280), C5H6O4(1828);
+- equation: C5H6O4(1634) <=> HO2(10) + C5H5O2(1266) # Reaction 66
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-17.15, 1.948, -0.03423, -0.01745]
+ - [16.84, 0.04307, 0.02828, 0.01413]
+ - [-0.0111, 8.846e-04, 8.262e-04, 6.732e-04]
+ - [-0.1835, 4.659e-03, 2.946e-03, 1.359e-03]
+ - [-0.1657, 8.232e-04, 5.534e-04, 2.913e-04]
+ - [-0.0735, -7.081e-04, -4.466e-04, -2.034e-04]
+ note: |-
+ Reaction index: Chemkin #66; RMG #10537
+ PDep reaction: PDepNetwork #103
+ Flux pairs: C5H6O4(1634), HO2(10); C5H6O4(1634), C5H5O2(1266);
+- equation: C4H5O(1980) <=> OH(7) + VA(30) # Reaction 67
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.945, 0.749, -0.2339, 0.03171]
+ - [12.27, 0.5796, -0.03736, -0.05179]
+ - [-0.2593, 0.1335, 0.04876, -0.01692]
+ - [-0.09248, 0.01059, 0.02842, 4.959e-03]
+ - [-0.04115, 9.47e-03, 6.346e-03, 3.932e-03]
+ - [-0.02911, 0.01846, 3.928e-04, -8.189e-04]
+ note: |-
+ Reaction index: Chemkin #67; RMG #9826
+ PDep reaction: PDepNetwork #68
+ Flux pairs: C4H5O(1980), OH(7); C4H5O(1980), VA(30);
+- equation: O2(2) + furfuryl(1) <=> C5H6O4(2010) # Reaction 68
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-4.806, 1.159, -0.3923, -0.08296]
+ - [8.316, 0.7106, 0.2932, 0.03051]
+ - [-0.6495, 0.1031, 0.07209, 0.03221]
+ - [-0.2847, -4.193e-04, 7.312e-03, 8.555e-03]
+ - [-0.1103, -8.958e-03, -3.26e-03, 7.466e-04]
+ - [-0.03746, -6.542e-03, -3.754e-03, -1.053e-03]
+ note: |-
+ Reaction index: Chemkin #68; RMG #9158
+ PDep reaction: PDepNetwork #29
+ Flux pairs: O2(2), C5H6O4(2010); furfuryl(1), C5H6O4(2010);
+- equation: C5H6O4(1523) <=> C5H6O4(2010) # Reaction 69
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-9.424, 0.8739, -0.6707, -0.03265]
+ - [10.82, 1.022, 0.1112, -0.02177]
+ - [-0.4885, 0.291, 0.06497, 0.02568]
+ - [-0.3063, 0.09394, 0.02368, 0.01278]
+ - [-0.2273, 0.0278, 7.327e-03, 2.31e-03]
+ - [-0.1407, 7.296e-03, 1.465e-03, -1.173e-03]
+ note: |-
+ Reaction index: Chemkin #69; RMG #10242
+ PDep reaction: PDepNetwork #57
+ Flux pairs: C5H6O4(1523), C5H6O4(2010);
+- equation: C5H6O4(1707) <=> C5H6O4(2010) # Reaction 70
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-4.208, 0.9735, -0.6565, -0.03096]
+ - [5.381, 1.105, 0.1354, -0.01381]
+ - [-0.6451, 0.3122, 0.07588, 0.02878]
+ - [-0.4464, 0.09775, 0.02539, 0.01171]
+ - [-0.2347, 0.03017, 6.032e-03, 1.203e-04]
+ - [-0.09555, 9.608e-03, 7.416e-04, -2.606e-03]
+ note: |-
+ Reaction index: Chemkin #70; RMG #10265
+ PDep reaction: PDepNetwork #58
+ Flux pairs: C5H6O4(1707), C5H6O4(2010);
+- equation: C5H6O4(1283) <=> C5H6O4(2010) # Reaction 71
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-1.819, 1.44, -0.8174, -0.04945]
+ - [-1.286, 1.163, 0.5001, 0.04066]
+ - [-0.7696, 0.4584, 0.05689, 0.01032]
+ - [-0.3239, 0.1095, -0.01238, 4.911e-03]
+ - [-0.1495, 0.02106, 0.01063, -5.733e-03]
+ - [-0.0713, 9.977e-03, 8.016e-03, -6.593e-03]
+ note: |-
+ Reaction index: Chemkin #71; RMG #10391
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), C5H6O4(2010);
+- equation: C5H6O4(1280) <=> C5H6O4(2010) # Reaction 72
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [7.789, 2.684, -0.5391, -0.07008]
+ - [-1.377, 0.8335, 0.2405, -0.04042]
+ - [-0.8296, 0.1828, 0.1124, 0.03133]
+ - [-0.4507, 0.04114, 0.03475, 0.01954]
+ - [-0.2139, 5.129e-03, 6.818e-03, 6.213e-03]
+ - [-0.08616, -1.937e-03, -5.456e-04, 6.373e-04]
+ note: |-
+ Reaction index: Chemkin #72; RMG #10519
+ PDep reaction: PDepNetwork #102
+ Flux pairs: C5H6O4(1280), C5H6O4(2010);
+- equation: C5H6O4(1634) <=> C5H6O4(2010) # Reaction 73
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [6.492, 2.639, -0.392, -0.02664]
+ - [1.968, 0.9696, 0.1631, -0.0324]
+ - [-0.7607, 0.1419, 0.07747, 8.697e-03]
+ - [-0.3342, 0.039, 0.03026, 7.738e-03]
+ - [-0.2006, 0.01333, 0.0124, 5.203e-03]
+ - [-0.1087, 3.92e-04, 3.659e-03, 2.856e-03]
+ note: |-
+ Reaction index: Chemkin #73; RMG #10659
+ PDep reaction: PDepNetwork #103
+ Flux pairs: C5H6O4(1634), C5H6O4(2010);
+- equation: C5H6O4(1828) <=> C5H6O4(2010) # Reaction 74
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [8.647, 2.916, -0.3654, -0.03211]
+ - [-0.7469, 0.8452, 0.1943, -0.02368]
+ - [-0.6763, 0.08239, 0.07186, 0.01285]
+ - [-0.306, 0.03632, 0.02628, 0.01034]
+ - [-0.1491, 0.01516, 0.01015, 6.195e-03]
+ - [-0.07276, -1.153e-03, 1.559e-03, 2.572e-03]
+ note: |-
+ Reaction index: Chemkin #74; RMG #11018
+ PDep reaction: PDepNetwork #105
+ Flux pairs: C5H6O4(1828), C5H6O4(2010);
+- equation: C5H6O4(1828) <=> HO2(10) + C5H5O2(1266) # Reaction 75
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-13.32, 1.952, -0.03209, -0.01639]
+ - [13.2, 0.04399, 0.02891, 0.01448]
+ - [-0.154, -2.536e-04, 8.577e-05, 3.108e-04]
+ - [-0.1486, 3.359e-03, 2.113e-03, 9.632e-04]
+ - [-0.07274, 1.321e-04, 1.101e-04, 7.986e-05]
+ - [-0.01902, -8.38e-04, -5.347e-04, -2.507e-04]
+ note: |-
+ Reaction index: Chemkin #75; RMG #11286
+ PDep reaction: PDepNetwork #105
+ Flux pairs: C5H6O4(1828), HO2(10); C5H6O4(1828), C5H5O2(1266);
+- equation: O2(2) + furfuryl(1) <=> C5H6O4(2096) # Reaction 76
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.51, 1.134, -0.4039, -0.08575]
+ - [8.598, 0.6954, 0.2833, 0.02607]
+ - [-0.3633, 0.1067, 0.07297, 0.03149]
+ - [-0.1333, 4.805e-03, 9.996e-03, 9.196e-03]
+ - [-0.09414, -5.629e-03, -1.382e-03, 1.378e-03]
+ - [-0.07737, -4.83e-03, -2.726e-03, -6.352e-04]
+ note: |-
+ Reaction index: Chemkin #76; RMG #9411
+ PDep reaction: PDepNetwork #29
+ Flux pairs: O2(2), C5H6O4(2096); furfuryl(1), C5H6O4(2096);
+- equation: C5H6O4(1523) <=> C5H6O4(2096) # Reaction 77
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-10.77, 0.8241, -0.679, -0.03408]
+ - [11.06, 0.97, 0.0974, -0.02644]
+ - [-0.185, 0.2722, 0.05802, 0.02319]
+ - [-0.123, 0.08919, 0.02166, 0.01251]
+ - [-0.1887, 0.02675, 7.418e-03, 3.051e-03]
+ - [-0.1695, 6.628e-03, 1.824e-03, -4.367e-04]
+ note: |-
+ Reaction index: Chemkin #77; RMG #11035
+ PDep reaction: PDepNetwork #57
+ Flux pairs: C5H6O4(1523), C5H6O4(2096);
+- equation: C5H6O4(1707) <=> C5H6O4(2096) # Reaction 78
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.592, 0.9199, -0.6655, -0.03246]
+ - [5.595, 1.052, 0.1201, -0.01843]
+ - [-0.3401, 0.2947, 0.06826, 0.02683]
+ - [-0.259, 0.09263, 0.02363, 0.01217]
+ - [-0.1966, 0.02758, 6.427e-03, 1.323e-03]
+ - [-0.1266, 7.83e-03, 1.006e-03, -1.781e-03]
+ note: |-
+ Reaction index: Chemkin #78; RMG #11085
+ PDep reaction: PDepNetwork #58
+ Flux pairs: C5H6O4(1707), C5H6O4(2096);
+- equation: C5H6O4(1283) <=> C5H6O4(2096) # Reaction 79
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.448, 1.367, -0.8385, -0.05207]
+ - [-0.9925, 1.104, 0.4818, 0.03548]
+ - [-0.4762, 0.4399, 0.05106, 9.993e-03]
+ - [-0.1597, 0.09989, -0.01578, 6.121e-03]
+ - [-0.1207, 0.01572, 8.649e-03, -4.716e-03]
+ - [-0.1025, 8.842e-03, 7.464e-03, -5.922e-03]
+ note: |-
+ Reaction index: Chemkin #79; RMG #11135
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), C5H6O4(2096);
+- equation: C5H6O4(1280) <=> C5H6O4(2096) # Reaction 80
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [6.413, 2.647, -0.5529, -0.07147]
+ - [-1.179, 0.8033, 0.2212, -0.04694]
+ - [-0.5383, 0.1758, 0.1055, 0.02684]
+ - [-0.2708, 0.04204, 0.03413, 0.0182]
+ - [-0.1795, 6.827e-03, 7.904e-03, 6.519e-03]
+ - [-0.1194, -1.142e-03, 2.523e-04, 1.158e-03]
+ note: |-
+ Reaction index: Chemkin #80; RMG #11185
+ PDep reaction: PDepNetwork #102
+ Flux pairs: C5H6O4(1280), C5H6O4(2096);
+- equation: C5H6O4(1634) <=> C5H6O4(2096) # Reaction 81
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [5.443, 2.554, -0.4081, -0.02643]
+ - [2.1, 0.9356, 0.1421, -0.0353]
+ - [-0.5576, 0.1447, 0.07032, 6.663e-03]
+ - [-0.209, 0.04668, 0.02819, 6.041e-03]
+ - [-0.1823, 0.01936, 0.01265, 4.012e-03]
+ - [-0.1398, 3.413e-03, 4.753e-03, 2.344e-03]
+ note: |-
+ Reaction index: Chemkin #81; RMG #11235
+ PDep reaction: PDepNetwork #103
+ Flux pairs: C5H6O4(1634), C5H6O4(2096);
+- equation: C5H6O4(1828) <=> C5H6O4(2096) # Reaction 82
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [7.502, 2.849, -0.3822, -0.03295]
+ - [-0.6878, 0.8379, 0.1786, -0.0276]
+ - [-0.4745, 0.08358, 0.06863, 0.01046]
+ - [-0.164, 0.03711, 0.02592, 8.77e-03]
+ - [-0.1219, 0.01851, 0.01121, 5.537e-03]
+ - [-0.1037, 2.535e-03, 3.149e-03, 2.652e-03]
+ note: |-
+ Reaction index: Chemkin #82; RMG #11423
+ PDep reaction: PDepNetwork #105
+ Flux pairs: C5H6O4(1828), C5H6O4(2096);
+- equation: C5H6O4(2010) <=> C5H6O4(2096) # Reaction 83
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [9.658, 2.332, -0.1065, 8.588e-03]
+ - [-0.9733, 0.5223, -0.1495, 2.36e-03]
+ - [-0.4236, 0.2577, -0.04296, -0.01442]
+ - [-0.168, 0.07723, 0.01359, -0.01343]
+ - [-0.06199, 0.0176, 0.01811, -4.876e-03]
+ - [-0.03426, 0.0129, 7.869e-03, -2.699e-04]
+ note: |-
+ Reaction index: Chemkin #83; RMG #11993
+ PDep reaction: PDepNetwork #110
+ Flux pairs: C5H6O4(2010), C5H6O4(2096);
+- equation: C5H6O4(2010) <=> HO2(10) + C5H5O2(1266) # Reaction 84
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-35.71, 1.678, -0.1839, -0.06802]
+ - [27.71, 0.2821, 0.1513, 0.04712]
+ - [-0.407, 0.03614, 0.02691, 0.01521]
+ - [-0.2541, 7.02e-04, 2.619e-03, 3.287e-03]
+ - [-0.1202, -5.51e-03, -3.109e-03, -9.611e-04]
+ - [-0.03799, -3.925e-03, -2.559e-03, -1.227e-03]
+ note: |-
+ Reaction index: Chemkin #84; RMG #12086
+ PDep reaction: PDepNetwork #110
+ Flux pairs: C5H6O4(2010), HO2(10); C5H6O4(2010), C5H5O2(1266);
+- equation: C5H6O4(2096) <=> HO2(10) + C5H5O2(1266) # Reaction 85
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-44.46, 1.669, -0.189, -0.07005]
+ - [35.28, 0.2767, 0.1477, 0.04526]
+ - [-0.1856, 0.03779, 0.02762, 0.01523]
+ - [-0.1176, 3.71e-03, 4.398e-03, 3.976e-03]
+ - [-0.1005, -3.636e-03, -1.91e-03, -4.025e-04]
+ - [-0.07359, -3.268e-03, -2.102e-03, -9.769e-04]
+ note: |-
+ Reaction index: Chemkin #85; RMG #12284
+ PDep reaction: PDepNetwork #111
+ Flux pairs: C5H6O4(2096), HO2(10); C5H6O4(2096), C5H5O2(1266);
+- equation: O2(2) + C5H6O2(1274) <=> O2(2) + C5H6O2(1347) # Reaction 86
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-42.0, -8.424e-06, -5.878e-06, -3.318e-06]
+ - [38.68, 5.65e-06, 3.942e-06, 2.226e-06]
+ - [0.3584, -1.578e-07, -1.101e-07, -6.215e-08]
+ - [0.08621, 1.576e-08, 1.1e-08, 6.207e-09]
+ - [0.02411, 1.754e-08, 1.224e-08, 6.91e-09]
+ - [7.751e-03, 3.602e-09, 2.513e-09, 1.419e-09]
+ note: |-
+ Reaction index: Chemkin #86; RMG #12515
+ PDep reaction: PDepNetwork #51
+ Flux pairs: C5H6O2(1274), C5H6O2(1347); O2(2), O2(2);
+- equation: O2(2) + furfuryl(1) <=> C5H6O4(1802) # Reaction 87
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-12.56, 0.503, -0.4672, -0.02025]
+ - [10.56, 0.1758, 0.178, 0.04608]
+ - [-1.5, 0.3461, 0.01713, -0.02632]
+ - [-0.5482, 0.1387, -0.01714, -9.237e-03]
+ - [0.03082, 0.03077, 9.13e-03, -2.421e-03]
+ - [0.08191, 8.485e-03, 0.01317, -2.554e-03]
+ note: |-
+ Reaction index: Chemkin #87; RMG #8413
+ PDep reaction: PDepNetwork #29
+ Flux pairs: O2(2), C5H6O4(1802); furfuryl(1), C5H6O4(1802);
+- equation: C5H6O4(1523) <=> C5H6O4(1802) # Reaction 88
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-0.9506, 1.477, -0.2764, -0.01357]
+ - [4.863, 0.4217, 0.02039, -7.578e-03]
+ - [-1.217, 0.07722, -9.892e-03, 0.03302]
+ - [-0.3595, 0.03724, -0.01785, 0.01098]
+ - [-0.09184, 0.04603, -3.115e-03, -8.55e-04]
+ - [-0.03227, 0.03474, 4.783e-03, -1.283e-03]
+ note: |-
+ Reaction index: Chemkin #88; RMG #8439
+ PDep reaction: PDepNetwork #57
+ Flux pairs: C5H6O4(1523), C5H6O4(1802);
+- equation: C5H6O4(1707) <=> C5H6O4(1802) # Reaction 89
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [3.632, 1.063, -0.197, 0.01661]
+ - [-0.02882, 0.8192, -0.142, -2.376e-03]
+ - [-1.235, 0.3177, -2.29e-04, 2.451e-03]
+ - [-0.4819, 0.1164, 0.02135, 7.88e-04]
+ - [-0.1161, 0.0497, 0.01602, 2.324e-03]
+ - [-0.01233, 0.03105, 8.346e-03, 6.07e-04]
+ note: |-
+ Reaction index: Chemkin #89; RMG #8570
+ PDep reaction: PDepNetwork #58
+ Flux pairs: C5H6O4(1707), C5H6O4(1802);
+- equation: C5H6O4(1283) <=> C5H6O4(1802) # Reaction 90
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-0.7541, 2.177, -0.4412, 0.02907]
+ - [-0.2469, 0.5271, 0.2135, -8.08e-03]
+ - [-1.838, 0.3891, -0.01704, -0.02071]
+ - [-0.5275, 0.09116, -0.02921, -2.012e-03]
+ - [0.06105, 0.01082, 9.024e-03, -7.074e-03]
+ - [0.06404, 0.01565, 0.01334, -5.129e-03]
+ note: |-
+ Reaction index: Chemkin #90; RMG #10341
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), C5H6O4(1802);
+- equation: C5H6O4(1280) <=> C5H6O4(1802) # Reaction 91
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.57, 1.483, -0.4107, -3.64e-03]
+ - [-0.5198, 0.6714, -0.02526, -0.01752]
+ - [-1.553, 0.2282, 0.03014, 0.02335]
+ - [-0.408, 0.06598, 9.094e-03, 5.675e-03]
+ - [-0.03276, 0.01515, -4.752e-03, -6.319e-03]
+ - [-0.03758, 0.02041, 4.331e-03, -1.482e-03]
+ note: |-
+ Reaction index: Chemkin #91; RMG #10469
+ PDep reaction: PDepNetwork #102
+ Flux pairs: C5H6O4(1280), C5H6O4(1802);
+- equation: C5H6O4(1634) <=> C5H6O4(1802) # Reaction 92
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-10.81, 1.352, -0.4419, -0.01788]
+ - [7.521, 0.5392, -0.04052, -0.02429]
+ - [-1.352, 0.1928, 0.02489, 0.0227]
+ - [-0.4021, 0.05938, 6.322e-03, 8.44e-03]
+ - [-0.1089, 0.01003, -7.27e-03, -3.983e-03]
+ - [-0.09694, 0.0189, 5.064e-03, 3.106e-04]
+ note: |-
+ Reaction index: Chemkin #92; RMG #10629
+ PDep reaction: PDepNetwork #103
+ Flux pairs: C5H6O4(1634), C5H6O4(1802);
+- equation: C5H6O4(1828) <=> C5H6O4(1802) # Reaction 93
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-7.96, 1.423, -0.4315, -0.01401]
+ - [4.1, 0.6034, -0.02747, -0.0167]
+ - [-1.472, 0.2109, 0.02605, 0.02289]
+ - [-0.4097, 0.06307, 7.125e-03, 6.866e-03]
+ - [-0.03872, 0.01211, -5.725e-03, -4.918e-03]
+ - [-0.04563, 0.01838, 4.457e-03, -6.459e-04]
+ note: |-
+ Reaction index: Chemkin #93; RMG #11398
+ PDep reaction: PDepNetwork #105
+ Flux pairs: C5H6O4(1828), C5H6O4(1802);
+- equation: C5H6O4(2010) <=> C5H6O4(1802) # Reaction 94
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-30.6, 0.7626, -0.7063, -0.04406]
+ - [19.43, 0.9578, 0.07413, -0.03754]
+ - [-1.429, 0.2736, 0.06686, 0.0295]
+ - [-0.4343, 0.05931, 0.01829, 0.01335]
+ - [-0.05053, 4.877e-03, -3.785e-03, -1.773e-03]
+ - [-0.0412, 0.01391, 2.397e-03, -6.581e-04]
+ note: |-
+ Reaction index: Chemkin #94; RMG #12222
+ PDep reaction: PDepNetwork #110
+ Flux pairs: C5H6O4(2010), C5H6O4(1802);
+- equation: C5H6O4(2096) <=> C5H6O4(1802) # Reaction 95
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-38.79, 0.7148, -0.7164, -0.0466]
+ - [26.95, 0.9072, 0.05958, -0.0429]
+ - [-1.182, 0.2575, 0.06183, 0.02767]
+ - [-0.2544, 0.05658, 0.01683, 0.01315]
+ - [-6.836e-03, 3.918e-03, -4.254e-03, -1.558e-03]
+ - [-0.06974, 0.01356, 2.936e-03, -1.067e-04]
+ note: |-
+ Reaction index: Chemkin #95; RMG #12470
+ PDep reaction: PDepNetwork #111
+ Flux pairs: C5H6O4(2096), C5H6O4(1802);
+- equation: O2(2) + furfuryl(1) <=> C5H6O4(2687) # Reaction 96
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-12.14, 0.608, -0.447, -0.02345]
+ - [11.53, 0.2899, 0.2016, 0.04459]
+ - [-1.077, 0.3963, 0.0315, -0.0304]
+ - [-0.4516, 0.1607, -8.247e-03, -0.01253]
+ - [6.552e-03, 0.03723, 0.01468, -2.189e-03]
+ - [0.04355, 7.149e-03, 0.01633, -7.041e-04]
+ note: |-
+ Reaction index: Chemkin #96; RMG #12629
+ PDep reaction: PDepNetwork #29
+ Flux pairs: O2(2), C5H6O4(2687); furfuryl(1), C5H6O4(2687);
+- equation: C5H6O4(1523) <=> C5H6O4(2687) # Reaction 97
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.275, 1.6, -0.2726, -0.01321]
+ - [6.149, 0.6211, 0.04294, 0.01069]
+ - [-0.6215, 0.1679, -0.01428, 0.03524]
+ - [-0.1733, 0.07277, -0.02456, 6.017e-03]
+ - [-0.08649, 0.05522, -5.352e-03, -5.554e-03]
+ - [-0.07435, 0.03398, 5.495e-03, -3.961e-03]
+ note: |-
+ Reaction index: Chemkin #97; RMG #12660
+ PDep reaction: PDepNetwork #57
+ Flux pairs: C5H6O4(1523), C5H6O4(2687);
+- equation: C5H6O4(1707) <=> C5H6O4(2687) # Reaction 98
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [2.593, 1.259, -0.2051, 8.734e-03]
+ - [1.54, 1.064, -0.1207, -3.368e-04]
+ - [-0.6061, 0.3902, 0.01645, 8.363e-04]
+ - [-0.3455, 0.1276, 0.02898, 6.317e-05]
+ - [-0.148, 0.04333, 0.01693, 1.289e-03]
+ - [-0.06711, 0.02929, 7.7e-03, -2.367e-03]
+ note: |-
+ Reaction index: Chemkin #98; RMG #12691
+ PDep reaction: PDepNetwork #58
+ Flux pairs: C5H6O4(1707), C5H6O4(2687);
+- equation: C5H6O4(1283) <=> C5H6O4(2687) # Reaction 99
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-0.4799, 2.301, -0.425, 0.0232]
+ - [0.782, 0.6482, 0.228, -0.01224]
+ - [-1.346, 0.4297, -0.01194, -0.02687]
+ - [-0.401, 0.102, -0.01947, -4.799e-03]
+ - [0.03409, 0.01336, 0.02077, -5.919e-03]
+ - [0.01441, 0.01587, 0.02061, -2.715e-03]
+ note: |-
+ Reaction index: Chemkin #99; RMG #12722
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), C5H6O4(2687);
+- equation: C5H6O4(1280) <=> C5H6O4(2687) # Reaction 100
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.235, 1.58, -0.3988, -1.342e-03]
+ - [0.681, 0.7869, 2.089e-03, -7.961e-03]
+ - [-1.112, 0.2718, 0.04032, 0.02195]
+ - [-0.3643, 0.08467, 0.01558, 2.266e-03]
+ - [-0.0775, 0.02744, -6.745e-04, -8.156e-03]
+ - [-0.07019, 0.02603, 4.358e-03, -2.858e-03]
+ note: |-
+ Reaction index: Chemkin #100; RMG #12753
+ PDep reaction: PDepNetwork #102
+ Flux pairs: C5H6O4(1280), C5H6O4(2687);
+- equation: C5H6O4(1634) <=> C5H6O4(2687) # Reaction 101
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-11.27, 1.442, -0.4287, -0.01329]
+ - [8.578, 0.6537, -0.01464, -0.01183]
+ - [-0.9237, 0.238, 0.03206, 0.0244]
+ - [-0.3341, 0.07492, 9.934e-03, 6.995e-03]
+ - [-0.1465, 0.01678, -4.426e-03, -5.328e-03]
+ - [-0.1381, 0.02055, 5.082e-03, -1.087e-03]
+ note: |-
+ Reaction index: Chemkin #101; RMG #12784
+ PDep reaction: PDepNetwork #103
+ Flux pairs: C5H6O4(1634), C5H6O4(2687);
+- equation: C5H6O4(1828) <=> C5H6O4(2687) # Reaction 102
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-8.345, 1.516, -0.4185, -9.938e-03]
+ - [5.228, 0.7165, -1.578e-03, -5.748e-03]
+ - [-1.039, 0.2537, 0.03433, 0.02293]
+ - [-0.3554, 0.07893, 0.01218, 4.489e-03]
+ - [-0.08213, 0.02119, -2.08e-03, -6.446e-03]
+ - [-0.08377, 0.02223, 4.585e-03, -2.0e-03]
+ note: |-
+ Reaction index: Chemkin #102; RMG #12815
+ PDep reaction: PDepNetwork #105
+ Flux pairs: C5H6O4(1828), C5H6O4(2687);
+- equation: C5H6O4(2687) <=> C5H6O4(2010) # Reaction 103
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-25.98, 0.8726, -0.6847, -0.03956]
+ - [17.62, 1.08, 0.1116, -0.02379]
+ - [-1.112, 0.3077, 0.0784, 0.03265]
+ - [-0.4237, 0.06489, 0.02143, 0.01285]
+ - [-0.1015, 8.936e-03, -2.82e-03, -2.775e-03]
+ - [-0.07492, 0.01675, 1.27e-03, -2.096e-03]
+ note: |-
+ Reaction index: Chemkin #103; RMG #20737
+ PDep reaction: PDepNetwork #150
+ Flux pairs: C5H6O4(2687), C5H6O4(2010);
+- equation: C5H6O4(2687) <=> C5H6O4(2096) # Reaction 104
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-27.34, 0.8214, -0.6955, -0.04216]
+ - [17.83, 1.028, 0.09618, -0.02908]
+ - [-0.8049, 0.2928, 0.07294, 0.03126]
+ - [-0.2242, 0.06243, 0.02002, 0.01322]
+ - [-0.06006, 6.96e-03, -3.082e-03, -2.165e-03]
+ - [-0.1091, 0.01526, 1.818e-03, -1.402e-03]
+ note: |-
+ Reaction index: Chemkin #104; RMG #20738
+ PDep reaction: PDepNetwork #150
+ Flux pairs: C5H6O4(2687), C5H6O4(2096);
+- equation: C5H6O4(2687) <=> C5H6O4(1802) # Reaction 105
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [8.609, 2.42, -0.08425, 0.0217]
+ - [-2.317, 0.5932, -0.1037, 0.01885]
+ - [-1.216, 0.2001, -0.02256, -0.01193]
+ - [-0.48, 6.512e-03, -2.533e-04, -0.0185]
+ - [-0.09779, -9.835e-03, -4.98e-03, -0.01104]
+ - [0.0283, 0.01926, -4.942e-03, -4.079e-03]
+ note: |-
+ Reaction index: Chemkin #105; RMG #20611
+ PDep reaction: PDepNetwork #150
+ Flux pairs: C5H6O4(2687), C5H6O4(1802);
+- equation: C5H6O4(1802) <=> HO2(10) + C5H5O2(1266) # Reaction 106
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-57.33, 1.243, -0.2991, -0.04849]
+ - [44.34, -0.2482, -0.01359, 0.05257]
+ - [-0.9666, 0.2844, 0.07102, -0.02028]
+ - [-0.5043, 0.1925, 0.01218, -0.02752]
+ - [0.02453, 0.04243, 4.12e-03, 4.151e-05]
+ - [0.1198, -8.943e-03, 0.01096, 6.641e-03]
+ note: |-
+ Reaction index: Chemkin #106; RMG #13310
+ PDep reaction: PDepNetwork #112
+ Flux pairs: C5H6O4(1802), HO2(10); C5H6O4(1802), C5H5O2(1266);
+- equation: HO2(10) + furfuryl(1) <=> HO2(10) + C5H6O2(1246) # Reaction 107
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-28.14, -2.785e-04, -1.943e-04, -1.097e-04]
+ - [29.22, 5.841e-05, 4.074e-05, 2.299e-05]
+ - [0.1871, -6.26e-05, -4.366e-05, -2.463e-05]
+ - [-0.01009, -1.933e-06, -1.348e-06, -7.605e-07]
+ - [-0.0429, 4.934e-06, 3.444e-06, 1.945e-06]
+ - [-0.03687, 7.489e-06, 5.225e-06, 2.949e-06]
+ note: |-
+ Reaction index: Chemkin #107; RMG #13609
+ PDep reaction: PDepNetwork #74
+ Flux pairs: furfuryl(1), C5H6O2(1246); HO2(10), HO2(10);
+- equation: OH(7) + furfuryl(1) <=> C5H7O3(1602) # Reaction 108
+ duplicate: true
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-30.17, -1.072e-03, -7.472e-04, -4.211e-04]
+ - [27.55, -8.976e-04, -6.256e-04, -3.524e-04]
+ - [0.5276, 1.949e-04, 1.359e-04, 7.651e-05]
+ - [0.0616, 3.404e-04, 2.371e-04, 1.334e-04]
+ - [-5.74e-03, 4.837e-05, 3.362e-05, 1.884e-05]
+ - [-6.804e-03, -5.588e-05, -3.893e-05, -2.192e-05]
+ note: |-
+ Reaction index: Chemkin #108; RMG #7756
+ PDep reaction: PDepNetwork #46
+ Flux pairs: OH(7), C5H7O3(1602); furfuryl(1), C5H7O3(1602);
+- equation: OH(7) + furfuryl(1) <=> C5H7O3(1602) # Reaction 109
+ duplicate: true
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [10.11, 1.207, -0.2032, -0.04514]
+ - [0.5492, 0.7654, 0.1174, 6.362e-03]
+ - [-0.1945, 0.01086, 0.03534, 5.424e-03]
+ - [-0.253, -0.03973, 0.01491, 0.01012]
+ - [-0.1782, -6.85e-03, 2.284e-03, 6.155e-03]
+ - [-0.06536, 7.611e-03, -7.649e-04, 9.774e-04]
+ note: |-
+ Reaction index: Chemkin #109; RMG #8811
+ PDep reaction: PDepNetwork #41
+ Flux pairs: OH(7), C5H7O3(1602); furfuryl(1), C5H7O3(1602);
+- equation: C5H7O3(1602) <=> OH(7) + C5H6O2(1246) # Reaction 110
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-35.86, 1.996, -2.426e-03, -1.348e-03]
+ - [35.69, -1.371e-03, -9.496e-04, -5.283e-04]
+ - [-0.1293, 8.704e-04, 5.922e-04, 3.179e-04]
+ - [-0.1865, 9.068e-04, 6.257e-04, 3.455e-04]
+ - [-0.1481, 5.271e-04, 3.698e-04, 2.11e-04]
+ - [-0.05551, 3.869e-04, 2.695e-04, 1.516e-04]
+ note: |-
+ Reaction index: Chemkin #110; RMG #14161
+ PDep reaction: PDepNetwork #113
+ Flux pairs: C5H7O3(1602), OH(7); C5H7O3(1602), C5H6O2(1246);
+- equation: OH(7) + furfuryl(1) <=> C5H7O3(2938) # Reaction 111
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [9.697, 1.231, -0.2128, -0.05322]
+ - [0.5186, 0.7503, 0.1276, 0.01123]
+ - [-0.4992, -5.068e-06, 0.03841, 9.685e-03]
+ - [-0.2187, -0.03857, 0.01318, 0.01062]
+ - [-0.02919, -5.439e-03, -2.542e-04, 4.603e-03]
+ - [-0.01427, 8.002e-03, -1.177e-03, 1.359e-04]
+ note: |-
+ Reaction index: Chemkin #111; RMG #14128
+ PDep reaction: PDepNetwork #41
+ Flux pairs: OH(7), C5H7O3(2938); furfuryl(1), C5H7O3(2938);
+- equation: C5H7O3(2938) <=> C5H7O3(1602) # Reaction 112
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-1.297, 2.303, -0.1223, -0.02454]
+ - [7.716, 0.6887, -0.03569, 0.01049]
+ - [-0.6364, 0.4042, 0.01659, -3.721e-03]
+ - [-0.301, 0.1661, 0.01437, -6.65e-03]
+ - [-0.1255, 0.05668, 6.237e-03, -1.123e-03]
+ - [-0.085, 0.02231, 8.044e-03, 2.689e-03]
+ note: |-
+ Reaction index: Chemkin #112; RMG #14314
+ PDep reaction: PDepNetwork #114
+ Flux pairs: C5H7O3(2938), C5H7O3(1602);
+- equation: OH(7) + furfuryl(1) <=> CO(49) + C4H7O2(2949) # Reaction 113
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [12.02, -0.7383, -0.2086, -0.05292]
+ - [0.8046, 0.7334, 0.1306, 0.01265]
+ - [-0.2376, -0.01282, 0.03591, 0.01017]
+ - [-0.1324, -0.03829, 0.01113, 0.01031]
+ - [-0.0537, -2.726e-03, -6.257e-04, 4.121e-03]
+ - [-0.02734, 8.928e-03, -7.6e-04, -7.374e-05]
+ note: |-
+ Reaction index: Chemkin #113; RMG #14141
+ PDep reaction: PDepNetwork #41
+ Flux pairs: furfuryl(1), C4H7O2(2949); OH(7), CO(49);
+- equation: C5H7O3(1602) <=> CO(49) + C4H7O2(2949) # Reaction 114
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [6.981, 0.7306, -0.2555, -0.04]
+ - [3.189, 1.066, 0.08234, -0.01288]
+ - [-0.4082, 0.1421, 0.08195, 6.107e-03]
+ - [-0.141, -0.01689, 0.02504, 8.578e-03]
+ - [-0.08994, -8.077e-03, 3.914e-03, 2.919e-03]
+ - [-0.04193, 1.952e-03, 4.649e-03, 2.657e-03]
+ note: |-
+ Reaction index: Chemkin #114; RMG #14200
+ PDep reaction: PDepNetwork #113
+ Flux pairs: C5H7O3(1602), CO(49); C5H7O3(1602), C4H7O2(2949);
+- equation: C5H7O3(2938) <=> CO(49) + C4H7O2(2949) # Reaction 115
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [9.454, 1.526, -0.1682, -0.03075]
+ - [0.4592, 0.4976, 0.1341, 2.842e-03]
+ - [-0.2666, 8.392e-03, 0.0425, 0.02085]
+ - [-0.02852, -0.04258, -0.01045, 5.351e-03]
+ - [0.02255, -0.02032, -0.01274, -2.74e-03]
+ - [-6.555e-03, 0.01052, 1.253e-04, -2.925e-03]
+ note: |-
+ Reaction index: Chemkin #115; RMG #14313
+ PDep reaction: PDepNetwork #114
+ Flux pairs: C5H7O3(2938), CO(49); C5H7O3(2938), C4H7O2(2949);
+- equation: C5H7O3(2938) <=> OH(7) + C5H6O2(1246) # Reaction 116
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-34.52, 1.974, -0.018, -9.881e-03]
+ - [33.23, 2.83e-03, 1.932e-03, 1.045e-03]
+ - [-0.2334, 0.01298, 8.811e-03, 4.707e-03]
+ - [-0.04873, 1.241e-03, 8.724e-04, 4.991e-04]
+ - [2.662e-03, -2.265e-03, -1.489e-03, -7.42e-04]
+ - [-0.03358, 1.457e-03, 9.91e-04, 5.321e-04]
+ note: |-
+ Reaction index: Chemkin #116; RMG #14319
+ PDep reaction: PDepNetwork #114
+ Flux pairs: C5H7O3(2938), OH(7); C5H7O3(2938), C5H6O2(1246);
+- equation: C4H7O2(2949) <=> OH(7) + C4H6O(2975) # Reaction 117
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-1.566, 0.7152, -0.1127, 0.0154]
+ - [12.16, 0.8537, -0.02982, -0.02044]
+ - [-0.7399, 0.2502, 0.05552, -0.01277]
+ - [-0.2446, 0.01416, 0.0295, 2.331e-03]
+ - [-0.07804, -6.801e-03, 8.898e-04, 3.059e-03]
+ - [-0.03688, 9.011e-03, -3.498e-03, 3.05e-04]
+ note: |-
+ Reaction index: Chemkin #117; RMG #14400
+ PDep reaction: PDepNetwork #115
+ Flux pairs: C4H7O2(2949), OH(7); C4H7O2(2949), C4H6O(2975);
+- equation: O2(2) + C4H7O2(2949) <=> HO2(10) + C4H6O2(2973) # Reaction 118
+ rate-constant: {A: 1.14418e+13, b: 0.0, Ea: 0.932}
+ note: |-
+ Reaction index: Chemkin #118; RMG #14391
+ Template reaction: Disproportionation
+ Flux pairs: C4H7O2(2949), C4H6O2(2973); O2(2), HO2(10);
+ Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0
+ Multiplied by reaction path degeneracy 2.0
+- equation: C4H7O2(2949) + C5H5O2(1266) <=> C4H6O2(2973) + furfuryl(1) # Reaction 119
+ rate-constant: {A: 2.85561e+13, b: -0.375, Ea: 2.012}
+ note: |-
+ Reaction index: Chemkin #119; RMG #15486
+ Template reaction: Disproportionation
+ Flux pairs: C5H5O2(1266), furfuryl(1); C4H7O2(2949), C4H6O2(2973);
+ Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R
+- equation: O2(2) + C5H5O(1263) <=> OH(7) + C5H4O2(1924) # Reaction 120
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.068, -0.2092, -0.1252, -0.0514]
+ - [7.534, 0.1297, 0.07218, 0.02416]
+ - [0.2282, 0.02094, 0.01477, 8.07e-03]
+ - [0.09092, 0.02519, 0.0147, 5.723e-03]
+ - [0.03332, 0.01398, 8.56e-03, 3.679e-03]
+ - [6.412e-03, -2.4e-04, 4.289e-04, 7.326e-04]
+ note: |-
+ Reaction index: Chemkin #120; RMG #15548
+ PDep reaction: PDepNetwork #53
+ Flux pairs: C5H5O(1263), C5H4O2(1924); O2(2), OH(7);
+- equation: O2(2) + H(3) + H(3) <=> OH(7) + OH(7) # Reaction 121
+ rate-constant: {A: 4.0e+22, b: -1.835, Ea: 0.8}
+ note: |-
+ Reaction index: Chemkin #121; RMG #8
+ Library reaction: primaryH2O2
+ Flux pairs: O2(2), OH(7); H(3), OH(7); H(3), OH(7);
+- equation: H2O(9) + M <=> H(3) + OH(7) + M # Reaction 122
+ type: three-body
+ rate-constant: {A: 6.06e+27, b: -3.312, Ea: 120.77}
+ efficiencies: {N2: 2.0, H2O(9): 0.0, O2(2): 0.0, CO(49): 1.9, CO2(50): 3.8}
+ note: |-
+ Reaction index: Chemkin #122; RMG #11
+ Library reaction: primaryH2O2
+ Flux pairs: H2O(9), H(3); H2O(9), OH(7);
+- equation: H2O(9) + H2O(9) <=> H(3) + OH(7) + H2O(9) # Reaction 123
+ rate-constant: {A: 1.0e+26, b: -2.44, Ea: 120.16}
+ note: |-
+ Reaction index: Chemkin #123; RMG #12
+ Library reaction: primaryH2O2
+ Flux pairs: H2O(9), H2O(9); H2O(9), H(3); H2O(9), OH(7);
+- equation: O2(2) + H(3) + OH(7) <=> O2(2) + H2O(9) # Reaction 124
+ rate-constant: {A: 2.56e+22, b: -1.835, Ea: 0.8}
+ note: |-
+ Reaction index: Chemkin #124; RMG #13
+ Library reaction: primaryH2O2
+ Flux pairs: O2(2), O2(2); H(3), H2O(9); OH(7), H2O(9);
+- equation: O2(2) + H(3) (+M) <=> HO2(10) (+M) # Reaction 125
+ type: falloff
+ low-P-rate-constant: {A: 1.225e+19, b: -1.2, Ea: 0.0}
+ high-P-rate-constant: {A: 4.66e+12, b: 0.44, Ea: 0.0}
+ Troe: {A: 0.0, T3: 1750.0, T1: 1.0e-10, T2: 1.0e+30}
+ efficiencies: {CO2(50): 3.61, H2O(9): 16.6}
+ note: |-
+ Reaction index: Chemkin #125; RMG #14
+ Library reaction: primaryH2O2
+ Flux pairs: O2(2), HO2(10); H(3), HO2(10);
+- equation: H(3) + HO2(10) <=> OH(7) + OH(7) # Reaction 126
+ rate-constant: {A: 7.079e+13, b: 0.0, Ea: 0.295}
+ note: |-
+ Reaction index: Chemkin #126; RMG #31
+ Library reaction: primaryH2O2
+ Flux pairs: HO2(10), OH(7); H(3), OH(7);
+- equation: furfuryl(1) <=> H(3) + C5H5O2(1266) # Reaction 127
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-19.82, 0.1976, -0.04461, 1.801e-03]
+ - [24.89, 0.3596, -0.07929, 2.352e-03]
+ - [-0.08195, 0.2705, -0.05476, -5.667e-04]
+ - [-0.1271, 0.1667, -0.02727, -3.347e-03]
+ - [-0.08305, 0.08173, -6.589e-03, -4.572e-03]
+ - [-0.03892, 0.02857, 4.148e-03, -4.013e-03]
+ note: |-
+ Reaction index: Chemkin #127; RMG #6119
+ PDep reaction: PDepNetwork #28
+ Flux pairs: furfuryl(1), H(3); furfuryl(1), C5H5O2(1266);
+- equation: C5H6O2(1246) <=> H(3) + C5H5O2(1266) # Reaction 128
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.066, 1.152, -0.1179, 9.416e-03]
+ - [2.031, 1.002, 0.08129, -0.02527]
+ - [-0.2291, -0.01825, 0.07841, 0.01333]
+ - [-0.1427, -0.1381, -0.02163, 0.01034]
+ - [-0.02331, -0.02578, -0.02538, -4.904e-03]
+ - [6.307e-03, 0.01816, -1.93e-03, -4.262e-03]
+ note: |-
+ Reaction index: Chemkin #128; RMG #7060
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), H(3); C5H6O2(1246), C5H5O2(1266);
+- equation: C5H6O2(1249) <=> H(3) + C5H5O2(1266) # Reaction 129
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.729, 0.8443, -0.1512, -0.01652]
+ - [7.159, 1.072, 0.02803, -0.01736]
+ - [-0.5142, 0.177, 0.08205, -4.021e-03]
+ - [-0.303, -0.1021, 0.01864, 0.01183]
+ - [-0.09953, -0.07034, -0.01771, 3.425e-03]
+ - [-0.01429, -0.01054, -0.0122, -2.232e-03]
+ note: |-
+ Reaction index: Chemkin #129; RMG #7200
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), H(3); C5H6O2(1249), C5H5O2(1266);
+- equation: C5H6O2(1274) <=> H(3) + C5H5O2(1266) # Reaction 130
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-22.85, 1.731, -0.1325, -0.04067]
+ - [24.15, -0.1241, -0.03215, 8.967e-03]
+ - [-1.871, 0.08091, 0.04449, 0.01605]
+ - [-0.5012, 0.06289, 6.456e-03, -0.01184]
+ - [-0.2408, 0.07198, 0.01488, -7.387e-03]
+ - [-0.1048, 0.01666, 5.339e-03, 1.089e-04]
+ note: |-
+ Reaction index: Chemkin #130; RMG #7342
+ PDep reaction: PDepNetwork #37
+ Flux pairs: C5H6O2(1274), H(3); C5H6O2(1274), C5H5O2(1266);
+- equation: C5H6O2(1347) <=> H(3) + C5H5O2(1266) # Reaction 131
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.455, 1.844, -0.08785, -0.03362]
+ - [5.001, 8.273e-03, 0.0151, 0.01242]
+ - [-1.457, 0.07958, 0.04193, 0.01365]
+ - [-0.3188, 2.774e-03, -9.84e-03, -9.963e-03]
+ - [-0.1803, 0.02464, 6.57e-03, -2.056e-03]
+ - [-0.0941, 7.225e-03, 5.923e-03, 3.005e-03]
+ note: |-
+ Reaction index: Chemkin #131; RMG #7508
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), H(3); C5H6O2(1347), C5H5O2(1266);
+- equation: C5H6O2(1346) <=> H(3) + C5H5O2(1266) # Reaction 132
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.313, 1.847, -0.08626, -0.03324]
+ - [4.891, 0.01182, 0.01657, 0.01267]
+ - [-1.456, 0.07859, 0.04152, 0.01356]
+ - [-0.3151, 3.687e-04, -0.01059, -9.93e-03]
+ - [-0.1791, 0.02312, 6.211e-03, -1.925e-03]
+ - [-0.09487, 7.106e-03, 5.898e-03, 3.036e-03]
+ note: |-
+ Reaction index: Chemkin #132; RMG #7651
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), H(3); C5H6O2(1346), C5H5O2(1266);
+- equation: C5H5O2(1266) <=> H(3) + C5H4O2(1924) # Reaction 133
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.512, 0.3881, -0.09809, 7.21e-03]
+ - [13.74, 0.6236, -0.1327, -2.533e-03]
+ - [-0.2009, 0.3299, -0.02939, -0.01957]
+ - [-0.1018, 0.09895, 0.02714, -0.01657]
+ - [-0.02688, -1.621e-05, 0.02819, -3.711e-03]
+ - [-4.249e-03, -0.01188, 9.589e-03, 3.862e-03]
+ note: |-
+ Reaction index: Chemkin #133; RMG #8976
+ PDep reaction: PDepNetwork #59
+ Flux pairs: C5H5O2(1266), H(3); C5H5O2(1266), C5H4O2(1924);
+- equation: HO2(10) + furfuryl(1) <=> H(3) + C5H6O4(1283) # Reaction 134
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-23.18, -0.04824, -0.03246, -0.01705]
+ - [24.74, 0.02625, 0.01751, 9.031e-03]
+ - [0.3057, -2.998e-03, -1.82e-03, -7.474e-04]
+ - [0.07275, 4.47e-03, 2.916e-03, 1.438e-03]
+ - [7.861e-03, 7.149e-03, 4.696e-03, 2.349e-03]
+ - [-0.02143, 3.07e-03, 2.032e-03, 1.035e-03]
+ note: |-
+ Reaction index: Chemkin #134; RMG #13810
+ PDep reaction: PDepNetwork #78
+ Flux pairs: furfuryl(1), C5H6O4(1283); HO2(10), H(3);
+- equation: C4H7O2(2949) <=> H(3) + C4H6O2(2973) # Reaction 135
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.871, 0.7284, -0.1059, 0.01367]
+ - [12.92, 0.8893, -0.0288, -0.0193]
+ - [-0.4967, 0.2578, 0.05773, -0.01246]
+ - [-0.1692, 7.709e-03, 0.03016, 2.759e-03]
+ - [-0.04682, -0.01267, 3.887e-04, 3.311e-03]
+ - [-0.02343, 6.003e-03, -3.678e-03, 3.911e-04]
+ note: |-
+ Reaction index: Chemkin #135; RMG #14398
+ PDep reaction: PDepNetwork #115
+ Flux pairs: C4H7O2(2949), H(3); C4H7O2(2949), C4H6O2(2973);
+- equation: HO2(10) + furfuryl(1) <=> H(3) + C5H6O4(1280) # Reaction 136
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-20.94, -0.02725, -0.01854, -9.96e-03]
+ - [20.81, 0.02079, 0.01407, 7.471e-03]
+ - [0.5967, -5.576e-04, -3.41e-04, -1.417e-04]
+ - [0.1471, -2.028e-03, -1.363e-03, -7.144e-04]
+ - [0.02565, 1.801e-03, 1.2e-03, 6.179e-04]
+ - [-7.767e-03, 1.753e-03, 1.183e-03, 6.26e-04]
+ note: |-
+ Reaction index: Chemkin #136; RMG #14638
+ PDep reaction: PDepNetwork #75
+ Flux pairs: furfuryl(1), C5H6O4(1280); HO2(10), H(3);
+- equation: OH(7) + C5H5O(1263) <=> H(3) + C5H5O2(1266) # Reaction 137
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [4.711, -0.9029, -0.116, 0.01043]
+ - [2.48, 1.02, 0.06635, -0.02588]
+ - [-0.08039, 0.0288, 0.08471, 9.83e-03]
+ - [-0.1353, -0.1342, -0.01137, 0.01212]
+ - [-0.03383, -0.03703, -0.02518, -2.775e-03]
+ - [2.302e-03, 0.01372, -5.074e-03, -4.323e-03]
+ note: |-
+ Reaction index: Chemkin #137; RMG #15841
+ PDep reaction: PDepNetwork #137
+ Flux pairs: C5H5O(1263), C5H5O2(1266); OH(7), H(3);
+- equation: OH(7) + C5H5O(1263) <=> OH(7) + C5H5O(1296) # Reaction 138
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.57, -0.09198, -0.05095, -0.0182]
+ - [11.69, 0.0196, 0.01012, 2.082e-03]
+ - [0.6996, -0.02293, -9.252e-03, 4.725e-05]
+ - [0.1582, 0.01608, 2.879e-03, -3.959e-03]
+ - [-0.08707, 0.02071, 0.01007, 2.848e-03]
+ - [-0.1265, 0.02765, 0.01409, 4.033e-03]
+ note: |-
+ Reaction index: Chemkin #138; RMG #15842
+ PDep reaction: PDepNetwork #137
+ Flux pairs: C5H5O(1263), C5H5O(1296); OH(7), OH(7);
+- equation: furfuryl(1) <=> CO(49) + C4H6O(2191) # Reaction 139
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-17.25, -0.5398, -0.4559, -0.07402]
+ - [22.34, 1.225, 0.1383, 0.03057]
+ - [0.3127, -0.1075, -0.1395, -1.629e-03]
+ - [-0.8415, -0.2295, -0.03667, -0.02193]
+ - [-0.4328, 0.03934, 0.04169, 4.228e-03]
+ - [0.07493, 0.01488, -0.04303, 7.584e-03]
+ note: |-
+ Reaction index: Chemkin #139; RMG #9604
+ PDep reaction: PDepNetwork #28
+ Flux pairs: furfuryl(1), CO(49); furfuryl(1), C4H6O(2191);
+- equation: C4H6O(2191) + C5H5O2(1266) <=> C4H5O(1980) + furfuryl(1) # Reaction 140
+ rate-constant: {A: 5.7233, b: 3.635, Ea: 0.0}
+ note: |-
+ Reaction index: Chemkin #140; RMG #9788
+ Template reaction: Disproportionation
+ Flux pairs: C5H5O2(1266), furfuryl(1); C4H6O(2191), C4H5O(1980);
+ Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
+- equation: C5H6O2(1774) <=> furfuryl(1) # Reaction 141
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [6.327, 2.995, -0.4061, -0.0556]
+ - [-2.2, 0.8647, 0.2838, -7.136e-03]
+ - [-1.115, -0.01475, 0.03846, 0.03065]
+ - [-0.4173, -0.06302, -0.0228, 2.074e-03]
+ - [-0.08944, 8.347e-03, -3.161e-03, -5.029e-03]
+ - [0.01099, 0.02579, 8.951e-03, -7.81e-04]
+ note: |-
+ Reaction index: Chemkin #141; RMG #26497
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), furfuryl(1);
+- equation: C5H6O2(3537) <=> furfuryl(1) # Reaction 142
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-7.276, 1.741, -0.1985, -0.07822]
+ - [11.57, 2.172, -0.152, -0.07183]
+ - [-0.5257, -0.3414, 0.03662, 0.1165]
+ - [-0.4468, -0.2046, 0.08352, -0.01663]
+ - [-0.1658, 0.05786, -8.928e-03, -0.03528]
+ - [-0.05515, 0.07051, -0.01143, 0.01449]
+ note: |-
+ Reaction index: Chemkin #142; RMG #19088
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), furfuryl(1);
+- equation: C5H6O2(1302) <=> furfuryl(1) # Reaction 143
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.266, 2.134, -0.1696, -0.07763]
+ - [6.486, 1.798, -0.2093, -0.06314]
+ - [-0.9733, -0.2849, 0.1663, 0.1121]
+ - [-0.6113, -0.1443, 0.05055, -0.02988]
+ - [-0.1436, 0.06422, -0.04916, -0.02149]
+ - [0.01505, 0.05648, 3.537e-03, 0.02169]
+ note: |-
+ Reaction index: Chemkin #143; RMG #25526
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), furfuryl(1);
+- equation: C5H6O2(1246) <=> C5H6O2(1302) # Reaction 144
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-1.413, 3.141, -0.1421, -0.03734]
+ - [4.377, 0.8438, -0.08271, -0.04822]
+ - [-0.283, -0.1179, 0.2104, 0.06209]
+ - [-0.4542, 0.01998, -0.04416, -5.522e-03]
+ - [-0.055, -0.01979, -0.03891, -1.586e-03]
+ - [-3.713e-03, 0.01305, 0.03969, -1.121e-03]
+ note: |-
+ Reaction index: Chemkin #144; RMG #6846
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(1302);
+- equation: C5H6O2(1302) <=> C5H6O2(1249) # Reaction 145
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-7.841, 2.416, -0.2711, -0.128]
+ - [8.069, 1.592, -0.06996, 0.01043]
+ - [-0.6937, -0.3035, 0.2279, 0.07201]
+ - [-0.5683, -0.05562, -0.03867, -0.03802]
+ - [-0.1443, 0.05886, -0.04411, 9.902e-03]
+ - [-0.01678, 0.01523, 0.03295, 9.514e-03]
+ note: |-
+ Reaction index: Chemkin #145; RMG #25527
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), C5H6O2(1249);
+- equation: C5H6O2(1302) <=> C5H6O2(1274) # Reaction 146
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.687, 3.119, -0.434, -0.1202]
+ - [9.051, 0.4587, 0.2116, 0.04156]
+ - [-2.075, 0.03349, 0.04826, 0.03387]
+ - [-0.6335, -0.02671, -0.02457, -0.01117]
+ - [-0.3237, 0.05057, 0.01038, -5.948e-03]
+ - [-0.1539, 0.03501, 0.01494, 2.239e-03]
+ note: |-
+ Reaction index: Chemkin #146; RMG #25528
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), C5H6O2(1274);
+- equation: C5H6O2(1347) <=> C5H6O2(1302) # Reaction 147
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-4.908, 3.267, -0.3695, -0.1073]
+ - [5.555, 0.6043, 0.2708, 0.05082]
+ - [-1.584, 0.01736, 0.0368, 0.02932]
+ - [-0.5262, -0.07364, -0.042, -0.01283]
+ - [-0.2852, 0.02613, 5.749e-03, -3.675e-03]
+ - [-0.1346, 0.02968, 0.01518, 3.711e-03]
+ note: |-
+ Reaction index: Chemkin #147; RMG #7531
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(1302);
+- equation: C5H6O2(1346) <=> C5H6O2(1302) # Reaction 148
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-4.764, 3.272, -0.3672, -0.1067]
+ - [5.442, 0.6083, 0.2727, 0.05128]
+ - [-1.59, 0.01574, 0.036, 0.02914]
+ - [-0.5271, -0.07546, -0.04274, -0.01293]
+ - [-0.2844, 0.02542, 5.563e-03, -3.647e-03]
+ - [-0.1344, 0.02946, 0.01513, 3.73e-03]
+ note: |-
+ Reaction index: Chemkin #148; RMG #7673
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(1302);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(1302) # Reaction 149
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [0.3695, 0.8129, -0.3145, -0.106]
+ - [5.292, 1.246, 0.1234, 0.04333]
+ - [-0.3768, -0.2085, 0.1814, 0.03193]
+ - [-0.4072, -0.03074, -0.09969, -9.057e-03]
+ - [-0.06829, 0.01414, 5.827e-03, 4.047e-03]
+ - [-0.0112, 0.02005, 0.02712, -2.646e-03]
+ note: |-
+ Reaction index: Chemkin #149; RMG #15883
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(1302); C5H5O(1263), C5H6O2(1302);
+- equation: C5H6O2(1246) <=> C5H6O2(3537) # Reaction 150
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-0.9351, 2.878, -0.1786, -0.04461]
+ - [4.193, 1.205, -0.03136, -0.04263]
+ - [2.876e-03, -0.2906, 0.1391, 0.06505]
+ - [-0.4055, 0.03096, 8.083e-03, -0.02119]
+ - [-0.1245, 0.04019, -0.05047, 5.297e-03]
+ - [-0.05842, -0.01014, 0.03173, 7.802e-03]
+ note: |-
+ Reaction index: Chemkin #150; RMG #16328
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(3537);
+- equation: C5H6O2(1774) <=> C5H6O2(1246) # Reaction 151
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [2.458, 3.427, -0.2191, -0.02284]
+ - [-0.4384, 0.5749, 0.1696, -0.02105]
+ - [-0.2702, -8.518e-03, 0.03682, 0.02755]
+ - [-0.1239, -0.05196, -0.01895, 3.342e-03]
+ - [-0.02566, -3.611e-03, -8.275e-03, -5.767e-03]
+ - [6.023e-03, 0.0105, 3.13e-03, -1.509e-03]
+ note: |-
+ Reaction index: Chemkin #151; RMG #26496
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(1246);
+- equation: C5H6O2(1249) <=> C5H6O2(3537) # Reaction 152
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-8.101, 2.109, -0.2732, -0.1342]
+ - [10.2, 1.937, -0.07242, 8.402e-03]
+ - [-0.2613, -0.4159, 0.1483, 0.08289]
+ - [-0.4387, -0.08422, 0.02357, -0.04794]
+ - [-0.1959, 0.08888, -0.04311, 2.878e-03]
+ - [-0.08878, 0.02787, 9.547e-03, 0.01845]
+ note: |-
+ Reaction index: Chemkin #152; RMG #16392
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), C5H6O2(3537);
+- equation: C5H6O2(1774) <=> C5H6O2(1249) # Reaction 153
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.134, 3.012, -0.4227, -0.08052]
+ - [-0.9747, 0.9226, 0.3207, 6.399e-03]
+ - [-0.6375, -0.04143, 0.02608, 0.02856]
+ - [-0.3021, -0.07349, -0.02916, 9.859e-05]
+ - [-0.09127, 8.165e-03, -3.078e-03, -4.978e-03]
+ - [-0.01922, 0.02193, 8.81e-03, 3.586e-04]
+ note: |-
+ Reaction index: Chemkin #153; RMG #26498
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(1249);
+- equation: C5H6O2(3537) <=> C5H6O2(1274) # Reaction 154
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-12.1, 3.103, -0.4308, -0.1115]
+ - [14.27, 0.3744, 0.1751, 0.03355]
+ - [-1.698, 0.01926, 0.04238, 0.03164]
+ - [-0.5311, -0.01532, -0.02071, -0.01092]
+ - [-0.361, 0.05981, 0.01178, -6.92e-03]
+ - [-0.2057, 0.03709, 0.0144, 1.471e-03]
+ note: |-
+ Reaction index: Chemkin #154; RMG #19090
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), C5H6O2(1274);
+- equation: C5H6O2(1774) <=> C5H6O2(1274) # Reaction 155
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [2.8, 3.338, -0.3096, -0.07146]
+ - [-0.6859, 0.3854, 0.1534, 0.01106]
+ - [-1.581, 0.06249, 0.05556, 0.02997]
+ - [-0.4502, -0.02142, -0.0219, -0.01041]
+ - [-0.2601, 0.04405, 7.954e-03, -6.549e-03]
+ - [-0.1375, 0.03022, 0.01325, 1.823e-03]
+ note: |-
+ Reaction index: Chemkin #155; RMG #26499
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(1274);
+- equation: C5H6O2(1347) <=> C5H6O2(3537) # Reaction 156
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-4.697, 3.266, -0.3634, -0.09986]
+ - [5.542, 0.5495, 0.2414, 0.0408]
+ - [-1.421, 0.02281, 0.03714, 0.02681]
+ - [-0.4847, -0.05854, -0.03623, -0.01226]
+ - [-0.3448, 0.03273, 7.34e-03, -4.132e-03]
+ - [-0.1997, 0.03122, 0.01534, 3.328e-03]
+ note: |-
+ Reaction index: Chemkin #156; RMG #16520
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(3537);
+- equation: C5H6O2(1774) <=> C5H6O2(1347) # Reaction 157
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.442e-03, 3.457, -0.257, -0.06075]
+ - [0.5492, 0.4871, 0.1968, 0.01854]
+ - [-1.148, 0.02404, 0.03759, 0.02622]
+ - [-0.3426, -0.07899, -0.04332, -0.01227]
+ - [-0.2121, 0.01385, -1.506e-04, -5.421e-03]
+ - [-0.1146, 0.02256, 0.01169, 2.621e-03]
+ note: |-
+ Reaction index: Chemkin #157; RMG #26500
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(1347);
+- equation: C5H6O2(1346) <=> C5H6O2(3537) # Reaction 158
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-4.557, 3.272, -0.3608, -0.09928]
+ - [5.424, 0.5546, 0.2436, 0.04123]
+ - [-1.428, 0.02173, 0.03658, 0.02666]
+ - [-0.4857, -0.06048, -0.03695, -0.01233]
+ - [-0.3443, 0.03176, 7.116e-03, -4.071e-03]
+ - [-0.2, 0.03093, 0.01529, 3.362e-03]
+ note: |-
+ Reaction index: Chemkin #158; RMG #16584
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(3537);
+- equation: C5H6O2(1774) <=> C5H6O2(1346) # Reaction 159
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-0.1551, 3.46, -0.2551, -0.06029]
+ - [0.4756, 0.4894, 0.198, 0.01885]
+ - [-1.114, 0.0218, 0.03655, 0.02602]
+ - [-0.3272, -0.08093, -0.04416, -0.01242]
+ - [-0.2073, 0.01316, -4.047e-04, -5.456e-03]
+ - [-0.1139, 0.02242, 0.01163, 2.613e-03]
+ note: |-
+ Reaction index: Chemkin #159; RMG #26501
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(1346);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(3537) # Reaction 160
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [0.811, 0.6153, -0.3041, -0.1233]
+ - [5.237, 1.488, 0.08494, 0.06723]
+ - [-0.1172, -0.3365, 0.1669, 0.02058]
+ - [-0.3323, 9.992e-04, -0.06541, -0.0191]
+ - [-0.1279, 0.03614, -0.01422, 0.01599]
+ - [-0.07162, 6.752e-03, 0.03053, -5.036e-03]
+ note: |-
+ Reaction index: Chemkin #160; RMG #16648
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(3537); C5H5O(1263), C5H6O2(3537);
+- equation: C5H6O2(1774) <=> OH(7) + C5H5O(1263) # Reaction 161
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [3.73, 1.162, -0.3438, -0.05144]
+ - [-0.1125, 0.9037, 0.3189, 8.406e-03]
+ - [-0.3853, -0.07285, 0.01407, 0.02906]
+ - [-0.2174, -0.081, -0.03503, -2.403e-03]
+ - [-0.05276, 0.01253, -2.651e-03, -6.34e-03]
+ - [-1.617e-03, 0.01984, 8.512e-03, 6.214e-04]
+ note: |-
+ Reaction index: Chemkin #161; RMG #26514
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), OH(7); C5H6O2(1774), C5H5O(1263);
+- equation: HO2(10) + furfuryl(1) <=> HO2(10) + C5H6O2(2772) # Reaction 162
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-28.89, -2.524e-03, -1.758e-03, -9.893e-04]
+ - [26.65, -4.12e-04, -2.858e-04, -1.594e-04]
+ - [0.5277, -8.172e-04, -5.683e-04, -3.187e-04]
+ - [0.1532, -5.468e-05, -3.794e-05, -2.119e-05]
+ - [0.03688, 4.306e-04, 2.996e-04, 1.682e-04]
+ - [3.533e-03, 4.415e-04, 3.07e-04, 1.721e-04]
+ note: |-
+ Reaction index: Chemkin #162; RMG #13668
+ PDep reaction: PDepNetwork #76
+ Flux pairs: furfuryl(1), C5H6O2(2772); HO2(10), HO2(10);
+- equation: furfuryl(1) <=> C5H6O2(2772) # Reaction 163
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-30.59, 0.7898, -0.387, -0.03519]
+ - [28.42, 2.162, 0.142, -9.137e-03]
+ - [0.3372, 0.07277, -0.06524, 4.831e-03]
+ - [-0.2383, -0.1353, -0.0254, 0.02098]
+ - [-0.176, 0.05526, 0.02047, -4.369e-03]
+ - [-0.06904, 0.08616, 0.01161, -0.01592]
+ note: |-
+ Reaction index: Chemkin #163; RMG #16203
+ PDep reaction: PDepNetwork #28
+ Flux pairs: furfuryl(1), C5H6O2(2772);
+- equation: C5H6O2(1246) <=> C5H6O2(2772) # Reaction 164
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-8.161, 3.317, -0.2137, -0.04579]
+ - [5.979, 0.6179, 0.06244, -0.02504]
+ - [-0.1526, 0.01773, 0.155, 0.04874]
+ - [-0.2906, -0.05914, -0.07551, 2.718e-03]
+ - [-0.04465, -0.01288, 4.907e-03, -0.01233]
+ - [-0.02009, 0.03327, 0.01375, 5.309e-03]
+ note: |-
+ Reaction index: Chemkin #164; RMG #16332
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(2772);
+- equation: C5H6O2(1249) <=> C5H6O2(2772) # Reaction 165
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-15.51, 2.721, -0.3742, -0.1324]
+ - [11.81, 1.247, 0.1284, 0.04122]
+ - [-0.3578, -0.2, 0.1785, 0.03275]
+ - [-0.4332, -0.03494, -0.09585, -9.139e-03]
+ - [-0.09293, 0.01264, 3.459e-03, 4.123e-03]
+ - [-0.02497, 0.02066, 0.02755, -1.847e-03]
+ note: |-
+ Reaction index: Chemkin #165; RMG #16396
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), C5H6O2(2772);
+- equation: C5H6O2(1274) <=> C5H6O2(2772) # Reaction 166
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-31.81, 3.165, -0.4154, -0.1172]
+ - [25.81, 0.5045, 0.2282, 0.04293]
+ - [-1.482, 0.02863, 0.04405, 0.03192]
+ - [-0.5037, -0.04214, -0.03007, -0.01156]
+ - [-0.3033, 0.04286, 9.439e-03, -4.891e-03]
+ - [-0.1608, 0.03478, 0.01585, 2.904e-03]
+ note: |-
+ Reaction index: Chemkin #166; RMG #16460
+ PDep reaction: PDepNetwork #37
+ Flux pairs: C5H6O2(1274), C5H6O2(2772);
+- equation: C5H6O2(1347) <=> C5H6O2(2772) # Reaction 167
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-11.29, 3.299, -0.3541, -0.1035]
+ - [6.72, 0.6229, 0.2795, 0.0529]
+ - [-1.2, -4.15e-04, 0.02812, 0.02726]
+ - [-0.4374, -0.08573, -0.04704, -0.01361]
+ - [-0.2682, 0.02371, 5.438e-03, -3.387e-03]
+ - [-0.1362, 0.02953, 0.01535, 3.901e-03]
+ note: |-
+ Reaction index: Chemkin #167; RMG #16524
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(2772);
+- equation: C5H6O2(1346) <=> C5H6O2(2772) # Reaction 168
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-11.14, 3.304, -0.3518, -0.1029]
+ - [6.611, 0.626, 0.2811, 0.05335]
+ - [-1.206, -2.311e-03, 0.0272, 0.02705]
+ - [-0.439, -0.0872, -0.04769, -0.01374]
+ - [-0.2674, 0.02329, 5.31e-03, -3.388e-03]
+ - [-0.1357, 0.0293, 0.01528, 3.908e-03]
+ note: |-
+ Reaction index: Chemkin #168; RMG #16588
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(2772);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(2772) # Reaction 169
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.289, 0.9855, -0.381, -0.09282]
+ - [6.685, 1.056, 0.2819, 0.03352]
+ - [-0.1544, -0.1244, 0.08507, 0.03384]
+ - [-0.2894, -0.0725, -0.08339, -3.843e-03]
+ - [-0.05925, 0.01476, 0.01989, -6.368e-03]
+ - [-0.01885, 0.03073, 0.01033, 4.036e-03]
+ note: |-
+ Reaction index: Chemkin #169; RMG #16652
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(2772); C5H5O(1263), C5H6O2(2772);
+- equation: furfuryl(1) <=> C5H6O2(2848) # Reaction 170
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-29.24, 1.313, -0.3226, 8.853e-03]
+ - [29.25, 1.702, 0.04499, -0.0868]
+ - [0.1157, -1.928e-03, -0.04023, 0.04465]
+ - [-0.2492, 7.141e-03, 0.01712, 0.02444]
+ - [-0.1764, 0.04844, -0.01615, -0.03065]
+ - [-0.05542, 0.05029, 6.496e-03, -6.612e-03]
+ note: |-
+ Reaction index: Chemkin #170; RMG #13864
+ PDep reaction: PDepNetwork #28
+ Flux pairs: furfuryl(1), C5H6O2(2848);
+- equation: C5H6O2(1246) <=> C5H6O2(2848) # Reaction 171
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.258, 3.343, -0.2775, -0.05338]
+ - [6.221, 0.6199, 0.1954, -0.01157]
+ - [-0.2812, 0.01093, 0.06787, 0.05121]
+ - [-0.2359, -0.08924, -0.04904, -9.398e-03]
+ - [-0.05929, 0.0175, 3.492e-03, -4.78e-03]
+ - [-0.01248, 0.01631, 8.57e-03, 3.304e-03]
+ note: |-
+ Reaction index: Chemkin #171; RMG #16350
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(2848);
+- equation: C5H6O2(1249) <=> C5H6O2(2848) # Reaction 172
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-13.72, 2.907, -0.476, -0.119]
+ - [12.1, 1.016, 0.3387, 0.02622]
+ - [-0.5216, -0.08641, 0.04768, 0.03995]
+ - [-0.3673, -0.09205, -0.06085, -7.414e-03]
+ - [-0.09723, 0.02212, 0.01149, -3.977e-03]
+ - [-0.02886, 0.02838, 0.01195, 4.092e-03]
+ note: |-
+ Reaction index: Chemkin #172; RMG #16414
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), C5H6O2(2848);
+- equation: C5H6O2(1274) <=> C5H6O2(2848) # Reaction 173
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-29.76, 3.193, -0.4044, -0.1164]
+ - [25.74, 0.5344, 0.2405, 0.04532]
+ - [-1.461, 0.01682, 0.03771, 0.03009]
+ - [-0.4881, -0.05533, -0.03467, -0.01176]
+ - [-0.2965, 0.03821, 9.079e-03, -4.122e-03]
+ - [-0.1646, 0.03539, 0.0166, 3.256e-03]
+ note: |-
+ Reaction index: Chemkin #173; RMG #16478
+ PDep reaction: PDepNetwork #37
+ Flux pairs: C5H6O2(1274), C5H6O2(2848);
+- equation: C5H6O2(1347) <=> C5H6O2(2848) # Reaction 174
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-9.173, 3.319, -0.3452, -0.1021]
+ - [6.708, 0.634, 0.2859, 0.05547]
+ - [-1.189, -0.01792, 0.01945, 0.02509]
+ - [-0.4382, -0.09202, -0.04979, -0.01412]
+ - [-0.2611, 0.02416, 5.973e-03, -3.203e-03]
+ - [-0.1342, 0.02934, 0.01539, 3.979e-03]
+ note: |-
+ Reaction index: Chemkin #174; RMG #16542
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(2848);
+- equation: C5H6O2(1346) <=> C5H6O2(2848) # Reaction 175
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-9.023, 3.324, -0.3431, -0.1015]
+ - [6.601, 0.6364, 0.2872, 0.05589]
+ - [-1.195, -0.01987, 0.01849, 0.02486]
+ - [-0.4406, -0.0931, -0.05031, -0.01425]
+ - [-0.2604, 0.02393, 5.894e-03, -3.219e-03]
+ - [-0.1335, 0.02907, 0.01529, 3.982e-03]
+ note: |-
+ Reaction index: Chemkin #175; RMG #16606
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(2848);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(2848) # Reaction 176
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-4.355, 1.061, -0.4135, -0.08913]
+ - [6.833, 0.9922, 0.371, 0.03154]
+ - [-0.2342, -0.1108, 0.01295, 0.03939]
+ - [-0.2654, -0.09481, -0.05236, -0.01103]
+ - [-0.06558, 0.03202, 9.596e-03, -3.532e-03]
+ - [-0.01108, 0.02241, 0.01123, 3.389e-03]
+ note: |-
+ Reaction index: Chemkin #176; RMG #16670
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(2848); C5H5O(1263), C5H6O2(2848);
+- equation: C4H6O(2191) <=> H(3) + C4H5O(1980) # Reaction 177
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-15.27, 1.641, -0.1874, -0.05503]
+ - [21.23, 0.2833, 0.127, 0.01827]
+ - [-0.03975, 0.03907, 0.03114, 0.01733]
+ - [-0.07025, -4.562e-04, 3.515e-03, 5.034e-03]
+ - [-0.0436, -2.432e-03, -9.306e-04, 4.066e-04]
+ - [-0.02306, -9.685e-04, -7.444e-04, -3.664e-04]
+ note: |-
+ Reaction index: Chemkin #177; RMG #17103
+ PDep reaction: PDepNetwork #141
+ Flux pairs: C4H6O(2191), H(3); C4H6O(2191), C4H5O(1980);
+- equation: OH(7) + CO(49) <=> H(3) + CO2(50) # Reaction 178
+ duplicate: true
+ rate-constant: {A: 7.015e+04, b: 2.053, Ea: -0.356}
+ note: |-
+ Reaction index: Chemkin #178; RMG #107
+ Library reaction: CurranPentane
+- equation: OH(7) + CO(49) <=> H(3) + CO2(50) # Reaction 179
+ duplicate: true
+ rate-constant: {A: 5.757e+12, b: -0.664, Ea: 0.332}
+ note: |-
+ Reaction index: Chemkin #179; RMG #107
+ Library reaction: CurranPentane
+- equation: HO2(10) + CO(49) <=> OH(7) + CO2(50) # Reaction 180
+ rate-constant: {A: 1.57e+05, b: 2.18, Ea: 17.94}
+ note: |-
+ Reaction index: Chemkin #180; RMG #108
+ Library reaction: CurranPentane
+ Flux pairs: CO(49), CO2(50); HO2(10), OH(7);
+- equation: C5H6O2(1275) <=> furfuryl(1) # Reaction 181
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.891, 0.7738, -0.1068, 8.85e-03]
+ - [5.867, 1.128, -0.09477, -6.445e-03]
+ - [-1.047, 0.4468, 0.03035, -0.01225]
+ - [-0.5101, 0.06365, 0.03702, 1.316e-03]
+ - [-0.1939, -0.02161, 3.227e-03, 4.49e-03]
+ - [-0.0557, -5.631e-03, -8.853e-03, -2.268e-04]
+ note: |-
+ Reaction index: Chemkin #181; RMG #17774
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), furfuryl(1);
+- equation: C5H6O2(1246) <=> C5H6O2(1275) # Reaction 182
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [5.413, 2.557, -0.09517, 1.774e-03]
+ - [-1.239, 0.8215, -0.09549, -0.01367]
+ - [-0.5452, 0.3288, 0.02198, -0.01751]
+ - [-0.2097, 0.04485, 0.04369, -1.99e-03]
+ - [-0.08097, -0.01584, 0.01687, 5.882e-03]
+ - [-0.04526, -7.829e-04, 4.58e-04, 2.774e-03]
+ note: |-
+ Reaction index: Chemkin #182; RMG #6827
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(1275);
+- equation: C5H6O2(1249) <=> C5H6O2(1275) # Reaction 183
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-1.663, 1.061, -0.1893, -0.0214]
+ - [5.756, 1.579, -0.0828, -0.01353]
+ - [-0.8082, 0.4992, 0.05023, -0.01403]
+ - [-0.502, 0.01697, 0.0325, 6.391e-03]
+ - [-0.2099, -0.03351, -7.603e-03, 3.632e-03]
+ - [-0.07597, 6.936e-03, -8.464e-03, -2.501e-03]
+ note: |-
+ Reaction index: Chemkin #183; RMG #7182
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), C5H6O2(1275);
+- equation: C5H6O2(1275) <=> C5H6O2(1274) # Reaction 184
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-7.818, 3.082, -0.3954, -0.0764]
+ - [11.3, 0.08404, 0.06766, 0.01564]
+ - [-2.198, 0.03286, 0.06591, 0.04207]
+ - [-0.6171, 0.05044, 4.525e-03, -8.354e-03]
+ - [-0.3139, 0.09629, 0.0139, -0.01329]
+ - [-0.1423, 0.0345, 5.343e-03, -3.358e-03]
+ note: |-
+ Reaction index: Chemkin #184; RMG #17810
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), C5H6O2(1274);
+- equation: C5H6O2(1347) <=> C5H6O2(1275) # Reaction 185
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.353, 3.278, -0.3311, -0.07258]
+ - [3.844, 0.346, 0.1438, 0.01404]
+ - [-1.995, 0.1034, 0.07501, 0.03458]
+ - [-0.5368, 0.02094, -8.992e-03, -0.01084]
+ - [-0.2779, 0.05743, 7.62e-03, -9.563e-03]
+ - [-0.1282, 0.0221, 8.482e-03, 5.017e-04]
+ note: |-
+ Reaction index: Chemkin #185; RMG #7491
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(1275);
+- equation: C5H6O2(1346) <=> C5H6O2(1275) # Reaction 186
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.221, 3.285, -0.3285, -0.07226]
+ - [3.718, 0.3541, 0.1467, 0.01423]
+ - [-2.001, 0.1041, 0.07505, 0.03444]
+ - [-0.5346, 0.01843, -9.775e-03, -0.01085]
+ - [-0.2762, 0.05533, 7.226e-03, -9.387e-03]
+ - [-0.1284, 0.02143, 8.481e-03, 6.368e-04]
+ note: |-
+ Reaction index: Chemkin #186; RMG #7633
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(1275);
+- equation: OH(7) + furfuryl(1) <=> OH(7) + C5H6O2(1275) # Reaction 187
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-21.79, -1.473e-03, -1.027e-03, -5.78e-04]
+ - [24.48, -9.655e-04, -6.725e-04, -3.783e-04]
+ - [0.1091, 4.372e-04, 3.044e-04, 1.71e-04]
+ - [-0.02353, 4.861e-04, 3.382e-04, 1.899e-04]
+ - [-0.0301, 4.521e-05, 3.139e-05, 1.755e-05]
+ - [-0.01582, -8.884e-05, -6.176e-05, -3.461e-05]
+ note: |-
+ Reaction index: Chemkin #187; RMG #7738
+ PDep reaction: PDepNetwork #46
+ Flux pairs: furfuryl(1), C5H6O2(1275); OH(7), OH(7);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(1275) # Reaction 188
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [6.197, -0.4095, -0.2096, 0.01135]
+ - [1.042, 1.82, -0.05329, -0.03709]
+ - [-0.5258, 0.3367, 0.1031, -8.015e-03]
+ - [-0.3231, -0.09631, 0.02719, 0.01046]
+ - [-0.1157, -0.0474, -0.01044, 2.685e-04]
+ - [-0.04656, 0.01446, -1.707e-03, -2.775e-03]
+ note: |-
+ Reaction index: Chemkin #188; RMG #15844
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(1275); C5H5O(1263), C5H6O2(1275);
+- equation: furfuryl(1) <=> C5H6O2(2433) # Reaction 189
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-26.25, 0.8566, -0.3806, -7.055e-04]
+ - [28.29, 2.114, 0.1423, -0.05741]
+ - [-0.01782, 0.04158, -0.08745, 0.01078]
+ - [-0.3458, -0.0823, 3.822e-03, 0.03837]
+ - [-0.2098, 0.04029, 8.904e-03, -0.01616]
+ - [-0.05079, 0.07251, 4.947e-03, -0.01812]
+ note: |-
+ Reaction index: Chemkin #189; RMG #10788
+ PDep reaction: PDepNetwork #28
+ Flux pairs: furfuryl(1), C5H6O2(2433);
+- equation: C5H6O2(1246) <=> C5H6O2(2433) # Reaction 190
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.722, 3.308, -0.2425, -0.05451]
+ - [5.703, 0.6343, 0.1128, -0.01152]
+ - [-0.4242, 0.01699, 0.1263, 0.04405]
+ - [-0.4265, -0.06789, -0.06478, 2.382e-03]
+ - [-0.08035, -4.724e-03, 3.142e-03, -0.01117]
+ - [7.716e-03, 0.02816, 0.01198, 4.842e-03]
+ note: |-
+ Reaction index: Chemkin #190; RMG #16923
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(2433);
+- equation: C5H6O2(1249) <=> C5H6O2(2433) # Reaction 191
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-11.08, 2.741, -0.4091, -0.133]
+ - [11.53, 1.219, 0.19, 0.04234]
+ - [-0.6336, -0.1783, 0.1448, 0.03245]
+ - [-0.5713, -0.04418, -0.08503, -7.183e-03]
+ - [-0.1246, 0.01251, 4.495e-03, 1.714e-03]
+ - [-3.301e-04, 0.02231, 0.02345, -6.295e-04]
+ note: |-
+ Reaction index: Chemkin #191; RMG #16949
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), C5H6O2(2433);
+- equation: C5H6O2(1274) <=> C5H6O2(2433) # Reaction 192
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-27.34, 3.164, -0.4169, -0.1187]
+ - [25.47, 0.5141, 0.2333, 0.04496]
+ - [-1.719, 0.02931, 0.04425, 0.03193]
+ - [-0.655, -0.04321, -0.03041, -0.01155]
+ - [-0.3323, 0.0416, 9.016e-03, -4.931e-03]
+ - [-0.1353, 0.03412, 0.0156, 2.851e-03]
+ note: |-
+ Reaction index: Chemkin #192; RMG #16975
+ PDep reaction: PDepNetwork #37
+ Flux pairs: C5H6O2(1274), C5H6O2(2433);
+- equation: C5H6O2(1347) <=> C5H6O2(2433) # Reaction 193
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.808, 3.298, -0.3556, -0.1048]
+ - [6.393, 0.6296, 0.2837, 0.05494]
+ - [-1.435, -1.898e-03, 0.02734, 0.02701]
+ - [-0.5898, -0.08684, -0.04752, -0.01369]
+ - [-0.2972, 0.02315, 5.206e-03, -3.439e-03]
+ - [-0.1102, 0.02914, 0.01516, 3.837e-03]
+ note: |-
+ Reaction index: Chemkin #193; RMG #17001
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(2433);
+- equation: C5H6O2(1346) <=> C5H6O2(2433) # Reaction 194
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.66, 3.303, -0.3534, -0.1041]
+ - [6.284, 0.6325, 0.2852, 0.05538]
+ - [-1.441, -3.853e-03, 0.02638, 0.02678]
+ - [-0.5915, -0.08828, -0.04816, -0.01382]
+ - [-0.2965, 0.02276, 5.091e-03, -3.441e-03]
+ - [-0.1097, 0.02893, 0.01509, 3.844e-03]
+ note: |-
+ Reaction index: Chemkin #194; RMG #17027
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(2433);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(2433) # Reaction 195
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-1.834, 0.9842, -0.3953, -0.09562]
+ - [6.375, 1.063, 0.309, 0.03791]
+ - [-0.4075, -0.1252, 0.06859, 0.03299]
+ - [-0.4364, -0.07491, -0.07544, -4.154e-03]
+ - [-0.0916, 0.01656, 0.01679, -6.04e-03]
+ - [8.211e-03, 0.02919, 0.01043, 3.721e-03]
+ note: |-
+ Reaction index: Chemkin #195; RMG #17053
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(2433); C5H5O(1263), C5H6O2(2433);
+- equation: C5H6O2(1748) <=> furfuryl(1) # Reaction 196
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-48.36, 3.84, -0.09766, -0.04187]
+ - [36.83, 0.1511, 0.08585, 0.03043]
+ - [-1.766, -0.04723, -0.0245, -6.429e-03]
+ - [-0.94, -0.01656, -0.01093, -5.297e-03]
+ - [-0.1002, 8.864e-03, 5.377e-03, 2.172e-03]
+ - [0.1727, 6.096e-03, 4.058e-03, 2.03e-03]
+ note: |-
+ Reaction index: Chemkin #196; RMG #18113
+ PDep reaction: PDepNetwork #143
+ Flux pairs: C5H6O2(1748), furfuryl(1);
+- equation: C5H6O2(1246) <=> C5H6O2(1748) # Reaction 197
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-18.86, 3.882, -0.07355, -0.03303]
+ - [12.46, 0.1131, 0.06478, 0.02351]
+ - [-1.464, -0.06688, -0.03702, -0.01206]
+ - [-0.7147, 0.02161, 0.01169, 3.543e-03]
+ - [0.01358, 1.679e-05, 1.008e-04, 7.659e-05]
+ - [-0.01473, -9.24e-03, -4.895e-03, -1.298e-03]
+ note: |-
+ Reaction index: Chemkin #197; RMG #16756
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(1748);
+- equation: C5H6O2(1249) <=> C5H6O2(1748) # Reaction 198
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-28.97, 3.772, -0.1434, -0.06646]
+ - [20.56, 0.1639, 0.09474, 0.03525]
+ - [-1.66, -0.06024, -0.03266, -0.01004]
+ - [-1.088, -6.804e-03, -4.947e-03, -2.74e-03]
+ - [-0.1569, 0.01643, 0.0101, 4.278e-03]
+ - [0.1424, 5.718e-04, 7.669e-04, 7.33e-04]
+ note: |-
+ Reaction index: Chemkin #198; RMG #16776
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), C5H6O2(1748);
+- equation: C5H6O2(1274) <=> C5H6O2(1748) # Reaction 199
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-44.58, 3.836, -0.1005, -0.04341]
+ - [33.13, 0.1361, 0.07644, 0.02612]
+ - [-1.697, -0.06069, -0.0331, -0.01053]
+ - [-1.101, -0.02299, -0.01508, -7.328e-03]
+ - [-0.3324, 5.768e-03, 3.408e-03, 1.227e-03]
+ - [-0.04793, 2.969e-03, 2.142e-03, 1.209e-03]
+ note: |-
+ Reaction index: Chemkin #199; RMG #16796
+ PDep reaction: PDepNetwork #37
+ Flux pairs: C5H6O2(1274), C5H6O2(1748);
+- equation: C5H6O2(1347) <=> C5H6O2(1748) # Reaction 200
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-22.37, 3.861, -0.08589, -0.03783]
+ - [13.82, 0.1301, 0.07368, 0.02587]
+ - [-2.02, -0.06849, -0.03821, -0.01286]
+ - [-1.315, 4.456e-04, -1.07e-03, -1.678e-03]
+ - [-0.2383, 0.01128, 6.611e-03, 2.446e-03]
+ - [0.01227, -9.493e-03, -5.385e-03, -1.85e-03]
+ note: |-
+ Reaction index: Chemkin #200; RMG #16816
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(1748);
+- equation: C5H6O2(1346) <=> C5H6O2(1748) # Reaction 201
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-22.15, 3.862, -0.08529, -0.0376]
+ - [13.7, 0.1294, 0.07333, 0.02578]
+ - [-2.054, -0.0688, -0.0384, -0.01293]
+ - [-1.324, 1.594e-03, -3.865e-04, -1.407e-03]
+ - [-0.2338, 0.01096, 6.421e-03, 2.37e-03]
+ - [0.01059, -9.957e-03, -5.652e-03, -1.944e-03]
+ note: |-
+ Reaction index: Chemkin #201; RMG #16836
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(1748);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(1748) # Reaction 202
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-18.82, 1.858, -0.08731, -0.038]
+ - [15.02, 0.1407, 0.08026, 0.02882]
+ - [-1.502, -0.06071, -0.03304, -0.01026]
+ - [-1.044, -2.397e-03, -2.438e-03, -1.865e-03]
+ - [-0.09, 0.01484, 8.96e-03, 3.62e-03]
+ - [0.156, -5.173e-03, -2.747e-03, -7.449e-04]
+ note: |-
+ Reaction index: Chemkin #202; RMG #16856
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(1748); C5H5O(1263), C5H6O2(1748);
+- equation: C5H6O2(1774) <=> C5H6O2(1275) # Reaction 203
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [8.301, 3.359, -0.2411, -0.02274]
+ - [-1.287, 0.5368, 0.1421, -0.03029]
+ - [-0.353, 0.02629, 0.0469, 0.02374]
+ - [-0.1001, -0.02727, -3.84e-03, 8.083e-03]
+ - [-0.05537, 5.609e-03, -2.022e-03, -2.455e-03]
+ - [-0.0445, 0.01528, 4.618e-03, -1.383e-03]
+ note: |-
+ Reaction index: Chemkin #203; RMG #26481
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(1275);
+- equation: C5H6O2(1275) <=> C5H6O2(1748) # Reaction 204
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-23.67, 3.867, -0.08229, -0.03637]
+ - [19.8, 0.1281, 0.07319, 0.02632]
+ - [-0.9342, -0.06606, -0.03646, -0.01183]
+ - [-0.584, 7.85e-03, 3.645e-03, 4.997e-04]
+ - [-0.02305, 0.01105, 6.699e-03, 2.708e-03]
+ - [5.083e-03, -0.01027, -5.702e-03, -1.83e-03]
+ note: |-
+ Reaction index: Chemkin #204; RMG #17775
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), C5H6O2(1748);
+- equation: C5H6O2(1748) <=> C5H6O2(2772) # Reaction 205
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-48.88, 3.967, -0.02204, -0.01133]
+ - [37.23, 0.01469, 9.317e-03, 4.409e-03]
+ - [-1.417, -7.226e-04, 6.485e-04, 1.332e-03]
+ - [-0.4122, 3.067e-03, 1.685e-03, 5.627e-04]
+ - [-0.1019, -2.837e-03, -1.331e-03, -2.071e-04]
+ - [-0.0199, 3.238e-04, 2.457e-05, -1.581e-04]
+ note: |-
+ Reaction index: Chemkin #205; RMG #17805
+ PDep reaction: PDepNetwork #143
+ Flux pairs: C5H6O2(1748), C5H6O2(2772);
+- equation: C5H6O2(1275) <=> C5H6O2(3537) # Reaction 206
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-4.585, 3.028, -0.3652, -0.08904]
+ - [12.19, 0.6787, 0.1341, 0.02241]
+ - [-0.317, -0.06613, 0.07405, -6.123e-03]
+ - [-0.1531, 0.0149, -0.03227, 0.02715]
+ - [-0.1307, -1.51e-03, 0.02518, -0.01116]
+ - [-0.1315, 0.04183, 1.742e-03, 5.043e-03]
+ note: |-
+ Reaction index: Chemkin #206; RMG #17813
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), C5H6O2(3537);
+- equation: C5H6O2(1302) <=> C5H6O2(1275) # Reaction 207
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-1.113, 3.066, -0.3979, -0.08876]
+ - [8.505, 0.7059, 0.2254, 0.01324]
+ - [-0.8052, -0.01581, 0.04438, 0.01879]
+ - [-0.2579, -0.02248, -0.01135, 0.01176]
+ - [-0.1023, 0.01066, 8.38e-03, -3.565e-03]
+ - [-0.06416, 0.0273, 6.457e-03, 1.856e-03]
+ note: |-
+ Reaction index: Chemkin #207; RMG #25532
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), C5H6O2(1275);
+- equation: C5H6O2(1275) <=> C5H6O2(2772) # Reaction 208
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-11.72, 3.13, -0.3817, -0.08326]
+ - [13.28, 0.7207, 0.2527, 0.01216]
+ - [-0.2198, -0.01637, 0.03227, 0.02566]
+ - [-0.1117, -0.03955, -0.01088, 5.664e-03]
+ - [-0.08107, 0.01159, 1.668e-03, -1.425e-03]
+ - [-0.06089, 0.02096, 8.233e-03, 2.524e-04]
+ note: |-
+ Reaction index: Chemkin #208; RMG #17815
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), C5H6O2(2772);
+- equation: C5H6O2(1275) <=> C5H6O2(2848) # Reaction 209
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-9.807, 3.171, -0.3703, -0.08546]
+ - [13.31, 0.7319, 0.2671, 0.0202]
+ - [-0.2139, -0.03491, 0.02426, 0.02558]
+ - [-0.1072, -0.04489, -0.01515, 3.784e-03]
+ - [-0.07574, 0.01063, 5.873e-04, -2.165e-03]
+ - [-0.05812, 0.01908, 7.964e-03, 4.165e-04]
+ note: |-
+ Reaction index: Chemkin #209; RMG #17816
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), C5H6O2(2848);
+- equation: C5H6O2(1275) <=> C5H6O2(2433) # Reaction 210
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-7.267, 3.125, -0.3866, -0.08654]
+ - [12.94, 0.734, 0.2618, 0.01658]
+ - [-0.4598, -0.01695, 0.0318, 0.02566]
+ - [-0.2641, -0.03991, -0.01098, 5.598e-03]
+ - [-0.1104, 0.01058, 9.541e-04, -1.673e-03]
+ - [-0.03454, 0.02002, 7.805e-03, 7.443e-05]
+ note: |-
+ Reaction index: Chemkin #210; RMG #17817
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), C5H6O2(2433);
+- equation: C5H6O2(1275) <=> H(3) + C5H5O2(1266) # Reaction 211
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.67, -0.07045, -0.2599, 0.01454]
+ - [9.151, 1.847, 0.03248, -0.05548]
+ - [-0.4745, 0.1794, 0.1315, 1.279e-03]
+ - [-0.2459, -0.1448, 0.01472, 0.01407]
+ - [-0.08746, -0.03545, -0.01425, 2.277e-04]
+ - [-0.04491, 0.02692, -5.232e-04, -1.693e-03]
+ note: |-
+ Reaction index: Chemkin #211; RMG #17819
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), H(3); C5H6O2(1275), C5H5O2(1266);
+- equation: C5H6O2(1275) <=> OH(7) + C5H5O(1296) # Reaction 212
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-13.88, 1.614, -0.1852, -0.04387]
+ - [15.89, 0.3842, 0.1581, 0.01474]
+ - [-0.1202, -0.02733, 8.299e-03, 0.01802]
+ - [-0.02394, -0.02976, -0.01594, -3.227e-03]
+ - [-0.02812, 4.673e-03, -6.722e-04, -2.904e-03]
+ - [-0.03799, 9.941e-03, 5.046e-03, 9.774e-04]
+ note: |-
+ Reaction index: Chemkin #212; RMG #17820
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), OH(7); C5H6O2(1275), C5H5O(1296);
+- equation: C5H6O2(3537) <=> C5H6O2(1748) # Reaction 213
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-25.65, 3.919, -0.04984, -0.02227]
+ - [22.03, 0.06253, 0.03396, 0.01038]
+ - [-1.394, -0.05342, -0.02873, -8.549e-03]
+ - [-0.4852, 0.02839, 0.01502, 4.11e-03]
+ - [-0.1087, -0.02068, -0.01139, -3.69e-03]
+ - [-0.09463, 6.865e-03, 3.998e-03, 1.472e-03]
+ note: |-
+ Reaction index: Chemkin #213; RMG #19096
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), C5H6O2(1748);
+- equation: C5H6O2(1774) <=> C5H6O2(1748) # Reaction 214
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-9.624, 3.932, -0.04382, -0.02142]
+ - [7.17, 0.02836, 0.01477, 3.896e-03]
+ - [-1.427, -0.02832, -0.01509, -4.371e-03]
+ - [-0.4501, 0.01199, 5.576e-03, 7.1e-04]
+ - [-0.0588, -0.01321, -7.091e-03, -2.116e-03]
+ - [-0.02549, 5.31e-03, 2.788e-03, 7.61e-04]
+ note: |-
+ Reaction index: Chemkin #214; RMG #26505
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(1748);
+- equation: C5H6O2(1302) <=> C5H6O2(1748) # Reaction 215
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-18.86, 3.962, -0.02493, -0.01238]
+ - [16.77, 0.0214, 0.01287, 5.438e-03]
+ - [-1.904, -5.688e-03, -1.745e-03, 8.931e-04]
+ - [-0.5286, 6.409e-03, 3.302e-03, 8.567e-04]
+ - [-0.1186, -5.344e-03, -2.529e-03, -4.172e-04]
+ - [-0.02541, 1.643e-03, 6.582e-04, -4.997e-05]
+ note: |-
+ Reaction index: Chemkin #215; RMG #25534
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), C5H6O2(1748);
+- equation: C5H6O2(1748) <=> C5H6O2(2848) # Reaction 216
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-46.35, 3.966, -0.0229, -0.012]
+ - [36.92, 0.01481, 9.752e-03, 4.961e-03]
+ - [-1.491, 8.599e-04, 1.412e-03, 1.476e-03]
+ - [-0.4136, 2.1e-03, 1.242e-03, 5.118e-04]
+ - [-0.09548, -2.058e-03, -9.693e-04, -1.549e-04]
+ - [-0.01504, -1.499e-04, -2.078e-04, -2.057e-04]
+ note: |-
+ Reaction index: Chemkin #216; RMG #18118
+ PDep reaction: PDepNetwork #143
+ Flux pairs: C5H6O2(1748), C5H6O2(2848);
+- equation: C5H6O2(1748) <=> C5H6O2(2433) # Reaction 217
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-44.35, 3.965, -0.02345, -0.01214]
+ - [36.88, 0.01628, 0.01045, 5.07e-03]
+ - [-1.667, -5.272e-04, 7.609e-04, 1.376e-03]
+ - [-0.5684, 3.101e-03, 1.726e-03, 6.001e-04]
+ - [-0.1317, -2.791e-03, -1.311e-03, -2.066e-04]
+ - [6.77e-03, 2.479e-04, -2.277e-05, -1.801e-04]
+ note: |-
+ Reaction index: Chemkin #217; RMG #18119
+ PDep reaction: PDepNetwork #143
+ Flux pairs: C5H6O2(1748), C5H6O2(2433);
+- equation: C5H6O2(1748) <=> OH(7) + C5H5O(1296) # Reaction 218
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-49.58, 1.919, -0.05208, -0.02515]
+ - [38.41, 0.05486, 0.0314, 0.01145]
+ - [-1.279, -0.03626, -0.01931, -5.436e-03]
+ - [-0.3691, 0.01975, 0.01003, 2.282e-03]
+ - [-1.309e-04, -0.01598, -8.577e-03, -2.487e-03]
+ - [-0.03595, 9.351e-03, 5.459e-03, 2.097e-03]
+ note: |-
+ Reaction index: Chemkin #218; RMG #18120
+ PDep reaction: PDepNetwork #143
+ Flux pairs: C5H6O2(1748), OH(7); C5H6O2(1748), C5H5O(1296);
+- equation: C5H6O2(1748) <=> H(3) + C5H5O2(1266) # Reaction 219
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-50.43, 1.864, -0.08334, -0.03652]
+ - [38.69, 0.1353, 0.07729, 0.02787]
+ - [-1.556, -0.06446, -0.03538, -0.01127]
+ - [-1.067, 4.789e-03, 1.805e-03, -2.183e-04]
+ - [-0.04328, 0.01278, 7.668e-03, 3.041e-03]
+ - [0.1565, -9.563e-03, -5.36e-03, -1.773e-03]
+ note: |-
+ Reaction index: Chemkin #219; RMG #18122
+ PDep reaction: PDepNetwork #143
+ Flux pairs: C5H6O2(1748), H(3); C5H6O2(1748), C5H5O2(1266);
+- equation: C5H6O2(1308) <=> furfuryl(1) # Reaction 220
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-13.78, 1.127, -0.2929, 0.0285]
+ - [15.63, 1.094, -0.1275, -0.05663]
+ - [-0.7166, 0.243, 2.238e-03, -0.01431]
+ - [-0.2392, -0.0682, 3.029e-04, 0.01431]
+ - [-0.03868, -0.07609, -4.276e-03, 0.01352]
+ - [0.01508, -0.02124, 6.701e-03, 4.795e-03]
+ note: |-
+ Reaction index: Chemkin #220; RMG #19426
+ PDep reaction: PDepNetwork #145
+ Flux pairs: C5H6O2(1308), furfuryl(1);
+- equation: C5H6O2(1246) <=> C5H6O2(1308) # Reaction 221
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.79, 2.549, -0.2364, 7.631e-05]
+ - [2.043, 0.4827, -0.1547, -0.06289]
+ - [0.2384, 0.111, -2.821e-03, -0.01194]
+ - [0.05058, -0.041, 0.05216, 0.0218]
+ - [-0.0929, -0.03237, 0.03364, 0.0185]
+ - [-0.1063, 0.01285, 1.053e-03, -8.557e-04]
+ note: |-
+ Reaction index: Chemkin #221; RMG #6830
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(1308);
+- equation: C5H6O2(1249) <=> C5H6O2(1308) # Reaction 222
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.373, 1.349, -0.3777, -0.01275]
+ - [8.215, 1.329, -0.09874, -0.06781]
+ - [-0.1941, 0.1831, 0.01991, -4.576e-03]
+ - [-0.1447, -0.1429, 0.01356, 0.0254]
+ - [-0.08518, -0.08987, 0.01155, 0.01348]
+ - [-0.06068, 3.092e-03, 0.01652, -1.206e-03]
+ note: |-
+ Reaction index: Chemkin #222; RMG #7228
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), C5H6O2(1308);
+- equation: C5H6O2(1308) <=> C5H6O2(1274) # Reaction 223
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-20.75, 2.745, -0.5247, -0.08365]
+ - [20.62, -0.1236, -0.02835, -0.01538]
+ - [-1.635, 0.09918, 0.09984, 0.04216]
+ - [-0.4557, 5.896e-03, 7.049e-03, 7.014e-03]
+ - [-0.304, 0.03948, 3.12e-03, -7.453e-03]
+ - [-0.1722, 0.0283, 6.069e-03, -4.212e-03]
+ note: |-
+ Reaction index: Chemkin #223; RMG #19428
+ PDep reaction: PDepNetwork #145
+ Flux pairs: C5H6O2(1308), C5H6O2(1274);
+- equation: C5H6O2(1347) <=> C5H6O2(1308) # Reaction 224
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.868, 2.975, -0.4585, -0.08766]
+ - [5.79, 0.1825, 0.05249, -0.02334]
+ - [-1.385, 0.1659, 0.1049, 0.03755]
+ - [-0.4191, -0.03653, -0.01698, 2.88e-03]
+ - [-0.2958, 8.6e-03, -8.414e-03, -9.39e-03]
+ - [-0.1668, 0.03306, 0.01094, -2.577e-03]
+ note: |-
+ Reaction index: Chemkin #224; RMG #7537
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(1308);
+- equation: C5H6O2(1346) <=> C5H6O2(1308) # Reaction 225
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.729, 2.984, -0.4557, -0.08767]
+ - [5.671, 0.1932, 0.05588, -0.02341]
+ - [-1.392, 0.1671, 0.105, 0.0375]
+ - [-0.4204, -0.03882, -0.01798, 2.726e-03]
+ - [-0.2957, 7.47e-03, -8.805e-03, -9.486e-03]
+ - [-0.1671, 0.03335, 0.01117, -2.499e-03]
+ note: |-
+ Reaction index: Chemkin #225; RMG #7679
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(1308);
+- equation: OH(7) + furfuryl(1) <=> OH(7) + C5H6O2(1308) # Reaction 226
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-39.26, -5.78e-04, -4.031e-04, -2.273e-04]
+ - [36.64, -6.809e-04, -4.748e-04, -2.677e-04]
+ - [0.5272, -9.935e-05, -6.923e-05, -3.897e-05]
+ - [0.09901, 1.15e-04, 8.022e-05, 4.524e-05]
+ - [9.728e-03, 6.478e-05, 4.514e-05, 2.542e-05]
+ - [-2.425e-03, 8.305e-06, 5.765e-06, 3.221e-06]
+ note: |-
+ Reaction index: Chemkin #226; RMG #7751
+ PDep reaction: PDepNetwork #46
+ Flux pairs: furfuryl(1), C5H6O2(1308); OH(7), OH(7);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(1308) # Reaction 227
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [3.199, -0.2477, -0.3705, 2.143e-03]
+ - [3.45, 1.351, -0.05605, -0.082]
+ - [0.2187, 0.03276, 0.05217, 0.01408]
+ - [-0.05562, -0.1968, 0.01669, 0.03052]
+ - [-0.09655, -0.0569, 7.97e-03, 6.504e-03]
+ - [-0.07617, 0.04556, 6.413e-03, -7.158e-03]
+ note: |-
+ Reaction index: Chemkin #227; RMG #15889
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(1308); C5H5O(1263), C5H6O2(1308);
+- equation: C5H6O2(1275) <=> C5H6O2(1308) # Reaction 228
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.529, 1.695, -0.4521, -0.07232]
+ - [11.91, 1.283, -0.1178, -0.01578]
+ - [0.104, -0.3313, 0.2118, 0.08851]
+ - [-0.2849, -0.09745, 4.202e-03, -0.03878]
+ - [-0.06426, 0.1283, -0.04476, 8.238e-03]
+ - [-0.07421, -3.87e-03, 0.02258, 0.01544]
+ note: |-
+ Reaction index: Chemkin #228; RMG #17865
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), C5H6O2(1308);
+- equation: C5H6O2(1308) <=> C5H6O2(1748) # Reaction 229
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-34.3, 3.853, -0.08761, -0.0361]
+ - [28.99, -0.04027, -0.02537, -0.01253]
+ - [-1.332, -0.1153, -0.0589, -0.01472]
+ - [-0.3443, -3.533e-03, -1.003e-03, -8.671e-05]
+ - [-0.06706, -0.03777, -0.01762, -2.764e-03]
+ - [-0.08923, 0.01099, 7.951e-03, 4.047e-03]
+ note: |-
+ Reaction index: Chemkin #229; RMG #19437
+ PDep reaction: PDepNetwork #145
+ Flux pairs: C5H6O2(1308), C5H6O2(1748);
+- equation: C5H6O2(1287) <=> furfuryl(1) # Reaction 230
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-15.89, 0.8058, -0.1783, 0.01048]
+ - [16.95, 1.109, -0.1882, -0.01767]
+ - [-0.6929, 0.3912, -0.03226, -0.01865]
+ - [-0.2716, 0.02392, -4.316e-03, 3.971e-03]
+ - [-0.05641, -0.04243, -0.01171, 0.01094]
+ - [0.01151, -0.014, -3.094e-03, 5.244e-03]
+ note: |-
+ Reaction index: Chemkin #230; RMG #19766
+ PDep reaction: PDepNetwork #146
+ Flux pairs: C5H6O2(1287), furfuryl(1);
+- equation: C5H6O2(1246) <=> C5H6O2(1287) # Reaction 231
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [2.88, 2.29, -0.1603, 1.481e-03]
+ - [0.9019, 0.4287, -0.206, -0.0146]
+ - [0.2458, 0.1983, -0.02912, -0.01614]
+ - [1.695e-04, 0.06029, 0.06399, 1.186e-03]
+ - [-0.1586, 0.02407, 0.05659, 0.01064]
+ - [-0.1658, 0.0267, 0.01101, 3.91e-03]
+ note: |-
+ Reaction index: Chemkin #231; RMG #6828
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(1287);
+- equation: C5H6O2(1249) <=> C5H6O2(1287) # Reaction 232
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-4.403, 0.9867, -0.2671, -0.01995]
+ - [7.277, 1.374, -0.1809, -0.02215]
+ - [-0.1925, 0.3368, -2.734e-03, -0.01363]
+ - [-0.1899, -0.06983, 0.02366, 0.01356]
+ - [-0.1126, -0.06714, 0.01455, 9.959e-03]
+ - [-0.08016, 0.01074, 0.0163, -1.796e-03]
+ note: |-
+ Reaction index: Chemkin #232; RMG #7208
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), C5H6O2(1287);
+- equation: C5H6O2(1287) <=> C5H6O2(1274) # Reaction 233
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-23.54, 2.224, -0.5229, 1.632e-03]
+ - [22.73, 0.0986, -0.01491, -0.05839]
+ - [-1.728, 0.2036, 0.08983, 0.02376]
+ - [-0.5486, 0.06669, 0.0171, 4.418e-03]
+ - [-0.3745, 0.07702, 6.383e-03, -8.346e-03]
+ - [-0.2122, 0.04271, 5.541e-03, -5.322e-03]
+ note: |-
+ Reaction index: Chemkin #233; RMG #19768
+ PDep reaction: PDepNetwork #146
+ Flux pairs: C5H6O2(1287), C5H6O2(1274);
+- equation: C5H6O2(1347) <=> C5H6O2(1287) # Reaction 234
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.396, 2.465, -0.4733, -4.83e-03]
+ - [5.382, 0.4255, 0.05724, -0.06627]
+ - [-1.623, 0.2877, 0.1121, 0.02436]
+ - [-0.6145, 0.03542, 0.01022, 3.902e-03]
+ - [-0.4306, 0.05339, 1.719e-03, -0.01054]
+ - [-0.2379, 0.0522, 0.01283, -4.474e-03]
+ note: |-
+ Reaction index: Chemkin #234; RMG #7516
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(1287);
+- equation: C5H6O2(1346) <=> C5H6O2(1287) # Reaction 235
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.26, 2.474, -0.4712, -5.085e-03]
+ - [5.258, 0.438, 0.06036, -0.0665]
+ - [-1.636, 0.2901, 0.1132, 0.02452]
+ - [-0.6209, 0.03372, 0.01002, 3.95e-03]
+ - [-0.4338, 0.0526, 1.595e-03, -0.01062]
+ - [-0.2398, 0.05268, 0.01312, -4.415e-03]
+ note: |-
+ Reaction index: Chemkin #235; RMG #7659
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(1287);
+- equation: OH(7) + furfuryl(1) <=> OH(7) + C5H6O2(1287) # Reaction 236
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-57.41, -3.878e-04, -2.705e-04, -1.526e-04]
+ - [51.89, -5.022e-04, -3.502e-04, -1.975e-04]
+ - [0.494, -1.281e-04, -8.933e-05, -5.035e-05]
+ - [0.09497, 4.545e-05, 3.171e-05, 1.791e-05]
+ - [8.658e-03, 4.661e-05, 3.25e-05, 1.832e-05]
+ - [-4.403e-03, 2.0e-05, 1.394e-05, 7.845e-06]
+ note: |-
+ Reaction index: Chemkin #236; RMG #7754
+ PDep reaction: PDepNetwork #46
+ Flux pairs: furfuryl(1), C5H6O2(1287); OH(7), OH(7);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(1287) # Reaction 237
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [3.949, -0.6511, -0.2697, 8.681e-03]
+ - [2.777, 1.439, -0.1542, -0.0389]
+ - [0.1751, 0.1758, 0.05043, -1.403e-03]
+ - [-0.1338, -0.1314, 0.03919, 0.01778]
+ - [-0.1552, -0.02679, 0.01776, 3.029e-03]
+ - [-0.1155, 0.06195, 6.91e-03, -6.743e-03]
+ note: |-
+ Reaction index: Chemkin #237; RMG #15869
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(1287); C5H5O(1263), C5H6O2(1287);
+- equation: C5H6O2(1275) <=> C5H6O2(1287) # Reaction 238
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.614, 1.24, -0.3159, -0.03264]
+ - [10.86, 1.396, -0.2332, -0.01225]
+ - [0.4158, -0.02912, 0.1655, 0.05096]
+ - [-0.4203, -0.1897, 0.07657, -0.01093]
+ - [-0.1743, 0.145, -0.06055, -0.02438]
+ - [-0.04054, 0.09953, -8.509e-03, 0.0211]
+ note: |-
+ Reaction index: Chemkin #238; RMG #17846
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), C5H6O2(1287);
+- equation: C5H6O2(1287) <=> C5H6O2(1748) # Reaction 239
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-37.49, 3.732, -0.145, -0.04697]
+ - [31.0, 0.1848, 0.08613, 0.01171]
+ - [-1.701, -0.1745, -0.0801, -0.01084]
+ - [-0.7457, 0.1312, 0.0776, 0.02858]
+ - [-0.0679, -0.02802, -0.02168, -0.01281]
+ - [-0.1163, -3.453e-03, 6.028e-03, 8.853e-03]
+ note: |-
+ Reaction index: Chemkin #239; RMG #19777
+ PDep reaction: PDepNetwork #146
+ Flux pairs: C5H6O2(1287), C5H6O2(1748);
+- equation: C5H6O2(1302) <=> C5H6O2(3537) # Reaction 240
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [9.429, 2.372, -0.1115, -0.02989]
+ - [-1.234, 0.7754, -0.04556, 5.108e-03]
+ - [-0.6237, 0.3766, -6.981e-03, -9.286e-03]
+ - [-0.2769, 0.1176, 0.0217, -2.867e-03]
+ - [-0.112, 0.01945, 0.01519, 2.355e-03]
+ - [-0.05436, 5.297e-03, 5.314e-03, 1.94e-03]
+ note: |-
+ Reaction index: Chemkin #240; RMG #25454
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), C5H6O2(3537);
+- equation: C5H6O2(1774) <=> C5H6O2(3537) # Reaction 241
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [7.648, 3.78, -0.1282, -0.04999]
+ - [-0.8818, 0.1524, 0.08121, 0.02344]
+ - [-0.1046, -0.01942, -6.335e-03, 1.839e-03]
+ - [-0.05144, 1.257e-04, -6.01e-04, -7.266e-04]
+ - [-0.08202, 9.911e-03, 5.398e-03, 1.707e-03]
+ - [-0.07214, 6.165e-03, 3.656e-03, 1.522e-03]
+ note: |-
+ Reaction index: Chemkin #241; RMG #26482
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(3537);
+- equation: C5H6O2(3537) <=> C5H6O2(2772) # Reaction 242
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-7.339, 3.166, -0.2948, -0.02933]
+ - [9.306, 0.5787, 0.1365, -0.02822]
+ - [-0.2905, 0.0543, 0.05469, 0.01656]
+ - [-0.1195, 4.799e-03, 9.01e-03, 7.863e-03]
+ - [-0.09415, 0.0198, 4.517e-03, -3.146e-04]
+ - [-0.06804, 0.01578, 5.678e-03, 7.092e-05]
+ note: |-
+ Reaction index: Chemkin #242; RMG #18983
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), C5H6O2(2772);
+- equation: C5H6O2(1302) <=> C5H6O2(1308) # Reaction 243
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [8.184, 1.686, -9.492e-03, -0.01746]
+ - [1.105, 0.576, -0.2155, 0.04496]
+ - [-0.4544, 0.4147, -0.03456, -0.04113]
+ - [-0.1822, 0.09657, 0.03572, -2.089e-03]
+ - [-0.04562, 4.082e-03, 9.088e-04, 0.01118]
+ - [-0.01126, 6.444e-03, -9.012e-03, -9.145e-04]
+ note: |-
+ Reaction index: Chemkin #243; RMG #25459
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), C5H6O2(1308);
+- equation: C5H6O2(1302) <=> C5H6O2(1287) # Reaction 244
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [8.197, 1.658, -7.827e-03, -0.01109]
+ - [1.123, 0.5277, -0.2114, 0.05518]
+ - [-0.4559, 0.3904, -0.0313, -0.03512]
+ - [-0.2032, 0.09692, 0.0371, 5.066e-04]
+ - [-0.07572, 0.01766, 1.427e-03, 0.01179]
+ - [-0.0395, 0.02095, -8.049e-03, -1.179e-03]
+ note: |-
+ Reaction index: Chemkin #244; RMG #25461
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), C5H6O2(1287);
+- equation: C4H6O(2191) <=> C4H6O(3627) # Reaction 245
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [9.222, 1.396, -0.3396, -0.01743]
+ - [-0.3184, 0.7468, -0.01107, -0.03911]
+ - [-0.2618, 0.2972, -3.197e-03, 7.155e-03]
+ - [-0.1549, 0.1318, -9.254e-04, 3.628e-03]
+ - [-0.07555, 0.04377, 7.451e-03, -1.475e-03]
+ - [-0.0302, 4.215e-03, 8.472e-03, -1.427e-03]
+ note: |-
+ Reaction index: Chemkin #245; RMG #17104
+ PDep reaction: PDepNetwork #141
+ Flux pairs: C4H6O(2191), C4H6O(3627);
+- equation: C5H6O2(3537) <=> C5H6O2(2848) # Reaction 246
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-7.404, 3.349, -0.3128, -0.08084]
+ - [11.3, 0.5378, 0.2248, 0.03006]
+ - [-0.3345, -0.02995, 0.01297, 0.02069]
+ - [-0.138, -4.179e-03, -2.42e-03, 8.753e-05]
+ - [-0.1047, 0.01376, 5.73e-03, 2.904e-04]
+ - [-0.07324, 9.785e-03, 4.804e-03, 1.001e-03]
+ note: |-
+ Reaction index: Chemkin #246; RMG #19093
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), C5H6O2(2848);
+- equation: C5H6O2(3537) <=> C5H6O2(2433) # Reaction 247
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.8, 2.995, -0.404, -0.06646]
+ - [10.11, 0.7844, 0.2732, 0.01182]
+ - [-0.7365, 0.03934, 0.03821, 0.02017]
+ - [-0.3084, 9.016e-03, 3.265e-03, 1.982e-03]
+ - [-0.1291, 9.1e-03, 4.581e-03, -2.613e-04]
+ - [-0.03983, 6.242e-03, 3.84e-03, 3.7e-04]
+ note: |-
+ Reaction index: Chemkin #247; RMG #19095
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), C5H6O2(2433);
+- equation: C5H6O2(3537) <=> C5H6O2(1308) # Reaction 248
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [3.808, 0.6178, -0.1696, -0.02009]
+ - [5.791, 1.02, -0.08208, 2.157e-03]
+ - [-0.408, 0.3811, 0.01005, -0.01062]
+ - [-0.1905, 0.09282, 0.0194, 2.902e-03]
+ - [-0.09615, 0.03019, 1.828e-03, 4.533e-03]
+ - [-0.06087, 0.02229, -1.411e-03, 8.33e-04]
+ note: |-
+ Reaction index: Chemkin #248; RMG #19097
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), C5H6O2(1308);
+- equation: C5H6O2(3537) <=> C5H6O2(1287) # Reaction 249
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [3.811, 0.6126, -0.1713, -0.01763]
+ - [5.796, 1.01, -0.08431, 6.076e-03]
+ - [-0.407, 0.375, 8.454e-03, -7.879e-03]
+ - [-0.1948, 0.09295, 0.01748, 4.822e-03]
+ - [-0.1039, 0.03475, -2.484e-04, 5.764e-03]
+ - [-0.06929, 0.02803, -2.96e-03, 1.404e-03]
+ note: |-
+ Reaction index: Chemkin #249; RMG #19098
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), C5H6O2(1287);
+- equation: C5H6O2(3537) <=> OH(7) + C5H5O(1296) # Reaction 250
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-17.43, 1.576, -0.2222, -0.06947]
+ - [18.87, 0.4475, 0.2105, 0.04482]
+ - [0.1349, -0.07041, -0.0168, 0.01002]
+ - [-0.0565, -0.03098, -0.01985, -7.457e-03]
+ - [-0.08789, 9.232e-03, 2.587e-03, -1.463e-03]
+ - [-0.06896, 9.234e-03, 5.601e-03, 2.091e-03]
+ note: |-
+ Reaction index: Chemkin #250; RMG #19099
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), OH(7); C5H6O2(3537), C5H5O(1296);
+- equation: C5H6O2(3537) <=> H(3) + C5H5O2(1266) # Reaction 251
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-13.11, 0.8553, -0.366, -0.1123]
+ - [14.61, 1.233, 0.2407, 0.07009]
+ - [-0.2165, -0.2204, 0.1058, 4.964e-03]
+ - [-0.2738, -0.0168, -0.08097, 4.397e-03]
+ - [-0.1048, 1.844e-03, 0.01373, -8.461e-04]
+ - [-0.07786, 0.02488, 0.01595, -2.802e-03]
+ note: |-
+ Reaction index: Chemkin #251; RMG #19101
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), H(3); C5H6O2(3537), C5H5O2(1266);
+- equation: C5H6O2(1774) <=> C5H6O2(1308) # Reaction 252
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [8.222, 2.971, -0.448, -0.09063]
+ - [-0.3419, 0.2917, 0.1534, 0.03599]
+ - [-0.1341, 0.02581, 5.393e-03, -2.567e-03]
+ - [-0.01612, -0.0198, -6.333e-03, 3.627e-04]
+ - [-0.01966, 5.493e-03, 8.929e-04, 3.059e-04]
+ - [-0.03533, 0.01887, 2.865e-03, -1.311e-03]
+ note: |-
+ Reaction index: Chemkin #252; RMG #26506
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(1308);
+- equation: C5H6O2(1308) <=> C5H6O2(2772) # Reaction 253
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-16.37, 1.998, -0.2178, 0.02992]
+ - [16.26, 0.75, -0.07413, -0.04767]
+ - [-0.07163, 0.232, 0.02772, 1.594e-03]
+ - [-0.03851, 0.0328, 0.01131, 4.424e-03]
+ - [-0.0214, 5.294e-03, -2.943e-03, -3.307e-03]
+ - [-0.01568, 0.01293, -3.07e-03, -2.32e-03]
+ note: |-
+ Reaction index: Chemkin #253; RMG #19433
+ PDep reaction: PDepNetwork #145
+ Flux pairs: C5H6O2(1308), C5H6O2(2772);
+- equation: C5H6O2(1308) <=> C5H6O2(2848) # Reaction 254
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-16.11, 2.313, -0.4033, -4.708e-04]
+ - [18.06, 0.7067, 0.1207, -0.02622]
+ - [-0.1902, 0.1008, 0.01815, 7.605e-03]
+ - [-0.04937, 6.768e-04, 3.521e-03, -7.643e-04]
+ - [-0.02124, 7.32e-03, -2.301e-03, -2.434e-03]
+ - [-0.02146, 0.01911, -3.052e-03, -2.15e-03]
+ note: |-
+ Reaction index: Chemkin #254; RMG #19434
+ PDep reaction: PDepNetwork #145
+ Flux pairs: C5H6O2(1308), C5H6O2(2848);
+- equation: C5H6O2(1308) <=> C5H6O2(2433) # Reaction 255
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-12.61, 1.871, -0.4032, 0.01442]
+ - [16.85, 0.9404, 0.1527, -0.03591]
+ - [-0.5559, 0.1981, 4.305e-03, 8.779e-03]
+ - [-0.2029, 0.03216, -7.025e-03, -1.102e-03]
+ - [-0.04033, 3.379e-03, -5.943e-03, -3.193e-03]
+ - [0.01482, 9.431e-03, -3.104e-03, -1.712e-03]
+ note: |-
+ Reaction index: Chemkin #255; RMG #19436
+ PDep reaction: PDepNetwork #145
+ Flux pairs: C5H6O2(1308), C5H6O2(2433);
+- equation: C5H6O2(1308) <=> C5H6O2(1287) # Reaction 256
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.203, -0.1718, -0.0794, 7.783e-03]
+ - [13.52, 0.8789, -0.2689, 0.02862]
+ - [-0.1406, 0.4634, -0.01381, -0.03245]
+ - [-0.1329, 0.1078, 0.02372, 0.01154]
+ - [-0.0638, 0.02555, -8.488e-03, 8.22e-03]
+ - [-0.03879, 0.0211, -7.489e-03, -2.527e-03]
+ note: |-
+ Reaction index: Chemkin #256; RMG #19438
+ PDep reaction: PDepNetwork #145
+ Flux pairs: C5H6O2(1308), C5H6O2(1287);
+- equation: C5H6O2(1308) <=> OH(7) + C5H5O(1296) # Reaction 257
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-26.28, 1.291, -0.3509, -0.09017]
+ - [25.35, 0.2651, 0.1007, -6.598e-03]
+ - [0.2135, -0.01232, 0.03104, 0.03776]
+ - [2.852e-04, -0.0775, -0.03675, -6.243e-03]
+ - [-0.02524, -1.39e-03, -5.107e-03, -6.649e-03]
+ - [-0.03567, 0.02801, 0.01359, 3.171e-03]
+ note: |-
+ Reaction index: Chemkin #257; RMG #19439
+ PDep reaction: PDepNetwork #145
+ Flux pairs: C5H6O2(1308), OH(7); C5H6O2(1308), C5H5O(1296);
+- equation: C5H6O2(1308) <=> H(3) + C5H5O2(1266) # Reaction 258
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-20.51, 0.01497, -0.4002, -8.439e-03]
+ - [19.17, 1.323, 6.178e-03, -0.08566]
+ - [0.2919, -0.04886, 0.06701, 0.02492]
+ - [-0.06023, -0.184, 9.928e-03, 0.02851]
+ - [-0.1126, -0.01817, -2.434e-03, -3.919e-04]
+ - [-0.07144, 0.05859, -3.138e-04, -9.109e-03]
+ note: |-
+ Reaction index: Chemkin #258; RMG #19441
+ PDep reaction: PDepNetwork #145
+ Flux pairs: C5H6O2(1308), H(3); C5H6O2(1308), C5H5O2(1266);
+- equation: C5H6O2(1774) <=> C5H6O2(1287) # Reaction 259
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [8.624, 2.445, -0.3963, -0.01821]
+ - [-0.6235, 0.5671, 0.1013, 4.506e-03]
+ - [-0.3135, 0.1225, 0.01724, -8.879e-03]
+ - [-0.1737, 0.04519, 0.02236, -2.645e-03]
+ - [-0.1291, 0.05116, 0.01269, 5.462e-04]
+ - [-0.09327, 0.03965, 5.084e-03, -5.023e-04]
+ note: |-
+ Reaction index: Chemkin #259; RMG #26507
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(1287);
+- equation: C5H6O2(1287) <=> C5H6O2(2772) # Reaction 260
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-19.6, 1.888, -0.1871, 0.03279]
+ - [18.72, 0.6825, -0.07976, -0.02373]
+ - [-0.06241, 0.236, 0.02395, 7.338e-03]
+ - [-0.09473, 0.06786, 0.01273, 2.348e-03]
+ - [-0.08305, 0.03733, 1.239e-03, -5.147e-03]
+ - [-0.06069, 0.03127, 8.664e-04, -2.44e-03]
+ note: |-
+ Reaction index: Chemkin #260; RMG #19773
+ PDep reaction: PDepNetwork #146
+ Flux pairs: C5H6O2(1287), C5H6O2(2772);
+- equation: C5H6O2(1287) <=> C5H6O2(2848) # Reaction 261
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-19.21, 2.007, -0.303, -1.073e-03]
+ - [20.43, 0.7837, 0.03759, 0.0164]
+ - [-0.2301, 0.1463, 0.01751, 3.163e-03]
+ - [-0.1374, 0.05164, 0.01608, -8.405e-03]
+ - [-0.09786, 0.04352, 5.477e-03, -3.292e-03]
+ - [-0.07072, 0.03649, 5.492e-04, -7.881e-04]
+ note: |-
+ Reaction index: Chemkin #261; RMG #19774
+ PDep reaction: PDepNetwork #146
+ Flux pairs: C5H6O2(1287), C5H6O2(2848);
+- equation: C5H6O2(1287) <=> C5H6O2(2433) # Reaction 262
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-15.79, 1.676, -0.3287, 3.596e-03]
+ - [19.25, 0.9748, 0.09111, 6.697e-03]
+ - [-0.5438, 0.1911, 8.635e-03, 0.01149]
+ - [-0.2576, 0.05947, -1.611e-04, -4.712e-03]
+ - [-0.103, 0.03391, -7.944e-04, -4.776e-03]
+ - [-0.03206, 0.02885, 7.665e-04, -1.884e-03]
+ note: |-
+ Reaction index: Chemkin #262; RMG #19776
+ PDep reaction: PDepNetwork #146
+ Flux pairs: C5H6O2(1287), C5H6O2(2433);
+- equation: C5H6O2(1287) <=> OH(7) + C5H5O(1296) # Reaction 263
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-29.1, 0.8296, -0.4309, -0.03542]
+ - [27.33, 0.5326, 0.1518, -0.03529]
+ - [-0.06357, 0.1084, 0.07915, 0.04155]
+ - [-0.236, -4.107e-03, -3.73e-03, -3.061e-03]
+ - [-0.1692, 0.05099, 7.904e-03, -8.819e-03]
+ - [-0.09841, 0.05073, 0.01512, 1.1e-03]
+ note: |-
+ Reaction index: Chemkin #263; RMG #19779
+ PDep reaction: PDepNetwork #146
+ Flux pairs: C5H6O2(1287), OH(7); C5H6O2(1287), C5H5O(1296);
+- equation: C5H6O2(1287) <=> H(3) + C5H5O2(1266) # Reaction 264
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-23.16, -0.4182, -0.3084, 8.466e-03]
+ - [21.05, 1.445, -0.0977, -0.04793]
+ - [0.2376, 0.09382, 0.07704, 7.413e-03]
+ - [-0.165, -0.1177, 0.04116, 0.0163]
+ - [-0.2019, 0.01523, 0.01226, -2.074e-03]
+ - [-0.1255, 0.07736, -1.022e-03, -7.366e-03]
+ note: |-
+ Reaction index: Chemkin #264; RMG #19781
+ PDep reaction: PDepNetwork #146
+ Flux pairs: C5H6O2(1287), H(3); C5H6O2(1287), C5H5O2(1266);
+- equation: C5H6O2(3538) <=> furfuryl(1) # Reaction 265
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-51.35, 3.844, -0.09485, -0.04068]
+ - [34.82, 0.1541, 0.08769, 0.03125]
+ - [-3.418, -0.05051, -0.0265, -7.243e-03]
+ - [-1.552, -0.01511, -0.01018, -5.084e-03]
+ - [-0.1957, 0.01265, 7.604e-03, 3.033e-03]
+ - [0.2171, 4.47e-03, 3.092e-03, 1.655e-03]
+ note: |-
+ Reaction index: Chemkin #265; RMG #21886
+ PDep reaction: PDepNetwork #151
+ Flux pairs: C5H6O2(3538), furfuryl(1);
+- equation: C5H6O2(1246) <=> C5H6O2(3538) # Reaction 266
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-22.98, 3.883, -0.07292, -0.03272]
+ - [10.32, 0.1151, 0.06603, 0.02409]
+ - [-2.853, -0.06683, -0.03703, -0.01209]
+ - [-1.205, 0.02117, 0.01132, 3.303e-03]
+ - [-2.581e-03, 6.209e-05, 6.401e-05, 4.769e-06]
+ - [0.03432, -9.55e-03, -5.095e-03, -1.385e-03]
+ note: |-
+ Reaction index: Chemkin #266; RMG #17423
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(3538);
+- equation: C5H6O2(1249) <=> C5H6O2(3538) # Reaction 267
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-33.2, 3.778, -0.1402, -0.06497]
+ - [18.26, 0.1695, 0.09836, 0.03707]
+ - [-3.135, -0.05975, -0.03217, -9.606e-03]
+ - [-1.641, -3.934e-03, -3.243e-03, -2.041e-03]
+ - [-0.2208, 0.01932, 0.01181, 4.947e-03]
+ - [0.1804, -9.82e-04, -1.11e-04, 4.451e-04]
+ note: |-
+ Reaction index: Chemkin #267; RMG #17448
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), C5H6O2(3538);
+- equation: C5H6O2(1274) <=> C5H6O2(3538) # Reaction 268
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-48.81, 3.844, -0.09562, -0.04137]
+ - [30.85, 0.1458, 0.08232, 0.02863]
+ - [-3.106, -0.0578, -0.03141, -9.804e-03]
+ - [-1.605, -0.0171, -0.0117, -6.058e-03]
+ - [-0.3696, 0.01167, 6.836e-03, 2.529e-03]
+ - [0.02423, 1.901e-03, 1.458e-03, 9.039e-04]
+ note: |-
+ Reaction index: Chemkin #268; RMG #17473
+ PDep reaction: PDepNetwork #37
+ Flux pairs: C5H6O2(1274), C5H6O2(3538);
+- equation: C5H6O2(1347) <=> C5H6O2(3538) # Reaction 269
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-26.49, 3.864, -0.08396, -0.03689]
+ - [11.7, 0.1343, 0.07644, 0.02728]
+ - [-3.379, -0.06695, -0.03714, -0.01225]
+ - [-1.786, 2.197e-03, -2.494e-05, -1.241e-03]
+ - [-0.2447, 0.01249, 7.334e-03, 2.743e-03]
+ - [0.07198, -9.958e-03, -5.636e-03, -1.917e-03]
+ note: |-
+ Reaction index: Chemkin #269; RMG #17498
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(3538);
+- equation: C5H6O2(1346) <=> C5H6O2(3538) # Reaction 270
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-26.27, 3.864, -0.08342, -0.03668]
+ - [11.59, 0.1335, 0.07604, 0.02716]
+ - [-3.411, -0.06726, -0.03733, -0.01232]
+ - [-1.793, 3.242e-03, 5.985e-04, -9.931e-04]
+ - [-0.2401, 0.01209, 7.097e-03, 2.651e-03]
+ - [0.06977, -0.01037, -5.87e-03, -1.998e-03]
+ note: |-
+ Reaction index: Chemkin #270; RMG #17523
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(3538);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(3538) # Reaction 271
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-22.99, 1.86, -0.08609, -0.03748]
+ - [12.82, 0.1421, 0.08111, 0.02921]
+ - [-2.916, -0.06216, -0.03394, -0.01063]
+ - [-1.553, -2.032e-03, -2.376e-03, -1.984e-03]
+ - [-0.1223, 0.01549, 9.235e-03, 3.623e-03]
+ - [0.2039, -6.634e-03, -3.634e-03, -1.107e-03]
+ note: |-
+ Reaction index: Chemkin #271; RMG #17548
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(3538); C5H5O(1263), C5H6O2(3538);
+- equation: C5H6O2(3538) <=> C5H6O2(1748) # Reaction 272
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-23.72, 3.714, -0.1484, -0.04328]
+ - [21.56, 0.2971, 0.1436, 0.03214]
+ - [-2.373, 9.822e-03, 0.01476, 0.01235]
+ - [-0.6012, -0.03897, -0.01867, -3.431e-03]
+ - [-0.12, -4.597e-03, -5.144e-03, -3.802e-03]
+ - [-1.347e-03, 1.229e-03, 4.253e-04, -2.661e-04]
+ note: |-
+ Reaction index: Chemkin #272; RMG #21749
+ PDep reaction: PDepNetwork #151
+ Flux pairs: C5H6O2(3538), C5H6O2(1748);
+- equation: C5H6O2(1275) <=> C5H6O2(3538) # Reaction 273
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-27.87, 3.867, -0.08192, -0.03626]
+ - [17.54, 0.1285, 0.07326, 0.02625]
+ - [-2.395, -0.06767, -0.03759, -0.01244]
+ - [-1.108, 6.75e-03, 2.755e-03, -8.74e-05]
+ - [-0.05388, 0.0103, 6.096e-03, 2.313e-03]
+ - [0.04852, -0.01155, -6.538e-03, -2.229e-03]
+ note: |-
+ Reaction index: Chemkin #273; RMG #18084
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), C5H6O2(3538);
+- equation: C5H6O2(3537) <=> C5H6O2(3538) # Reaction 274
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-29.85, 3.919, -0.05002, -0.02235]
+ - [19.77, 0.06499, 0.03526, 0.01079]
+ - [-2.859, -0.05458, -0.02957, -8.998e-03]
+ - [-0.9991, 0.02879, 0.01511, 4.025e-03]
+ - [-0.1218, -0.02111, -0.01178, -3.948e-03]
+ - [-0.04445, 6.79e-03, 3.931e-03, 1.443e-03]
+ note: |-
+ Reaction index: Chemkin #274; RMG #19363
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), C5H6O2(3538);
+- equation: C5H6O2(1308) <=> C5H6O2(3538) # Reaction 275
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-38.49, 3.871, -0.0779, -0.03328]
+ - [26.74, -3.119e-03, -6.361e-03, -7.28e-03]
+ - [-2.791, -0.0923, -0.04802, -0.0125]
+ - [-0.8552, 0.01104, 5.189e-03, 4.692e-04]
+ - [-0.07933, -0.03248, -0.01625, -3.524e-03]
+ - [-0.03941, 0.01291, 8.14e-03, 3.509e-03]
+ note: |-
+ Reaction index: Chemkin #275; RMG #19724
+ PDep reaction: PDepNetwork #145
+ Flux pairs: C5H6O2(1308), C5H6O2(3538);
+- equation: C5H6O2(1287) <=> C5H6O2(3538) # Reaction 276
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-41.75, 3.755, -0.1332, -0.0436]
+ - [28.63, 0.2294, 0.1085, 0.01828]
+ - [-3.231, -0.1557, -0.07231, -9.675e-03]
+ - [-1.286, 0.1352, 0.07803, 0.02787]
+ - [-0.08454, -0.03015, -0.02438, -0.01459]
+ - [-0.06251, -6.331e-03, 3.994e-03, 8.152e-03]
+ note: |-
+ Reaction index: Chemkin #276; RMG #20062
+ PDep reaction: PDepNetwork #146
+ Flux pairs: C5H6O2(1287), C5H6O2(3538);
+- equation: C4H6O(3627) <=> H(3) + C4H5O(1980) # Reaction 277
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-26.61, 1.533, -0.254, -0.08508]
+ - [29.39, 0.3582, 0.174, 0.03991]
+ - [-0.2557, 0.03952, 0.03081, 0.01685]
+ - [-0.09882, -6.375e-03, -1.05e-03, 2.077e-03]
+ - [-7.389e-03, -3.572e-03, -1.889e-03, -3.693e-04]
+ - [2.555e-03, 7.512e-04, 4.389e-04, 2.361e-04]
+ note: |-
+ Reaction index: Chemkin #277; RMG #20578
+ PDep reaction: PDepNetwork #147
+ Flux pairs: C4H6O(3627), H(3); C4H6O(3627), C4H5O(1980);
+- equation: furfuryl(1) <=> CHCHO(87) + C#CCO(1295) # Reaction 278
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-28.09, 1.382, -0.1976, -0.02442]
+ - [33.62, -0.01686, 0.01683, 0.01227]
+ - [0.08575, 6.719e-03, -6.914e-03, -7.187e-03]
+ - [-0.1753, 0.1508, -2.006e-03, -8.497e-03]
+ - [-0.105, 0.09742, 1.721e-03, -8.015e-03]
+ - [-0.02089, 7.171e-03, 3.296e-03, -1.484e-03]
+ note: |-
+ Reaction index: Chemkin #278; RMG #6168
+ PDep reaction: PDepNetwork #28
+ Flux pairs: furfuryl(1), CHCHO(87); furfuryl(1), C#CCO(1295);
+- equation: C5H6O2(1246) <=> CHCHO(87) + C#CCO(1295) # Reaction 279
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.377, 2.0, -2.112e-04, -1.02e-04]
+ - [9.143, 6.061e-05, 3.373e-05, 1.182e-05]
+ - [-0.04141, 5.164e-04, 3.351e-04, 1.632e-04]
+ - [-0.01915, -8.429e-05, -4.658e-05, -1.43e-05]
+ - [-7.753e-04, -3.127e-04, -2.031e-04, -9.921e-05]
+ - [1.851e-03, 6.232e-05, 3.193e-05, 6.774e-06]
+ note: |-
+ Reaction index: Chemkin #279; RMG #6835
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), CHCHO(87); C5H6O2(1246), C#CCO(1295);
+- equation: C5H6O2(1249) <=> CHCHO(87) + C#CCO(1295) # Reaction 280
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-11.74, 1.894, -0.07025, -0.03579]
+ - [15.86, 0.036, 0.02279, 0.01063]
+ - [-0.7026, 0.01463, 9.941e-03, 5.248e-03]
+ - [-0.1338, -0.01404, -9.048e-03, -4.297e-03]
+ - [-0.02317, -2.792e-03, -1.745e-03, -8.276e-04]
+ - [-0.03631, 8.713e-03, 5.281e-03, 2.225e-03]
+ note: |-
+ Reaction index: Chemkin #280; RMG #7215
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), CHCHO(87); C5H6O2(1249), C#CCO(1295);
+- equation: C5H6O2(1274) <=> CHCHO(87) + C#CCO(1295) # Reaction 281
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-27.04, 1.942, -0.03493, -0.01528]
+ - [28.42, -0.03439, -0.01824, -5.808e-03]
+ - [-1.046, 2.932e-03, 3.191e-03, 2.56e-03]
+ - [-0.3258, -9.483e-03, -7.272e-03, -4.271e-03]
+ - [-0.1875, 0.01224, 5.095e-03, 3.779e-04]
+ - [-0.174, 0.02288, 0.01222, 3.961e-03]
+ note: |-
+ Reaction index: Chemkin #281; RMG #7358
+ PDep reaction: PDepNetwork #37
+ Flux pairs: C5H6O2(1274), CHCHO(87); C5H6O2(1274), C#CCO(1295);
+- equation: C5H6O2(1347) <=> CHCHO(87) + C#CCO(1295) # Reaction 282
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.059, 1.975, -0.01609, -7.986e-03]
+ - [9.502, -3.115e-03, -1.749e-03, -6.407e-04]
+ - [-0.7928, 7.175e-03, 4.708e-03, 2.337e-03]
+ - [-0.2859, -0.01106, -7.315e-03, -3.685e-03]
+ - [-0.1396, 6.613e-04, 1.061e-05, -3.644e-04]
+ - [-0.1249, 9.483e-03, 5.784e-03, 2.494e-03]
+ note: |-
+ Reaction index: Chemkin #282; RMG #7524
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), CHCHO(87); C5H6O2(1347), C#CCO(1295);
+- equation: C5H6O2(1346) <=> CHCHO(87) + C#CCO(1295) # Reaction 283
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.892, 1.976, -0.01557, -7.749e-03]
+ - [9.4, -2.499e-03, -1.39e-03, -4.988e-04]
+ - [-0.8, 7.156e-03, 4.685e-03, 2.317e-03]
+ - [-0.2891, -0.01099, -7.259e-03, -3.65e-03]
+ - [-0.1392, 4.391e-04, -9.848e-05, -3.894e-04]
+ - [-0.1239, 9.114e-03, 5.58e-03, 2.424e-03]
+ note: |-
+ Reaction index: Chemkin #283; RMG #7667
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), CHCHO(87); C5H6O2(1346), C#CCO(1295);
+- equation: OH(7) + C5H5O(1263) <=> CHCHO(87) + C#CCO(1295) # Reaction 284
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.061, -0.02279, -0.0147, -7.15e-03]
+ - [10.48, 0.01573, 0.01006, 4.823e-03]
+ - [-0.3747, 0.01662, 0.01106, 5.624e-03]
+ - [-0.03129, -0.01285, -8.351e-03, -4.036e-03]
+ - [0.0218, -2.447e-03, -1.685e-03, -9.306e-04]
+ - [-0.01248, 7.396e-03, 4.449e-03, 1.849e-03]
+ note: |-
+ Reaction index: Chemkin #284; RMG #15877
+ PDep reaction: PDepNetwork #137
+ Flux pairs: C5H5O(1263), C#CCO(1295); OH(7), CHCHO(87);
+- equation: C5H6O2(1275) <=> CHCHO(87) + C#CCO(1295) # Reaction 285
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-12.14, 1.649, -0.1744, -0.04551]
+ - [16.22, 0.3544, 0.1534, 0.02005]
+ - [-0.1361, -0.03345, 2.005e-03, 0.01502]
+ - [-0.03378, -0.02782, -0.01599, -4.439e-03]
+ - [-0.03359, 5.114e-03, 9.419e-05, -2.398e-03]
+ - [-0.04051, 9.063e-03, 4.906e-03, 1.281e-03]
+ note: |-
+ Reaction index: Chemkin #285; RMG #17854
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), CHCHO(87); C5H6O2(1275), C#CCO(1295);
+- equation: C5H6O2(1748) <=> CHCHO(87) + C#CCO(1295) # Reaction 286
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-47.42, 1.922, -0.05027, -0.02454]
+ - [38.33, 0.04896, 0.0281, 0.01035]
+ - [-1.315, -0.03177, -0.01679, -4.581e-03]
+ - [-0.3567, 0.01691, 8.4e-03, 1.691e-03]
+ - [-0.01083, -0.01476, -7.836e-03, -2.173e-03]
+ - [-0.03265, 9.32e-03, 5.372e-03, 1.994e-03]
+ note: |-
+ Reaction index: Chemkin #286; RMG #18223
+ PDep reaction: PDepNetwork #143
+ Flux pairs: C5H6O2(1748), CHCHO(87); C5H6O2(1748), C#CCO(1295);
+- equation: C5H6O2(3537) <=> CHCHO(87) + C#CCO(1295) # Reaction 287
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-15.57, 1.609, -0.2096, -0.06904]
+ - [19.1, 0.4119, 0.1999, 0.04701]
+ - [0.1002, -0.07023, -0.02008, 7.208e-03]
+ - [-0.06697, -0.02774, -0.01845, -7.658e-03]
+ - [-0.09237, 9.22e-03, 3.107e-03, -9.201e-04]
+ - [-0.07063, 8.338e-03, 5.236e-03, 2.149e-03]
+ note: |-
+ Reaction index: Chemkin #287; RMG #19149
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), CHCHO(87); C5H6O2(3537), C#CCO(1295);
+- equation: C5H6O2(1308) <=> CHCHO(87) + C#CCO(1295) # Reaction 288
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-24.45, 1.323, -0.3461, -0.09728]
+ - [25.63, 0.2558, 0.1083, 4.691e-03]
+ - [0.1693, -0.03462, 0.01705, 0.03339]
+ - [-8.955e-03, -0.07456, -0.03731, -8.952e-03]
+ - [-0.02797, 1.604e-03, -1.875e-03, -4.268e-03]
+ - [-0.03823, 0.02585, 0.01309, 3.584e-03]
+ note: |-
+ Reaction index: Chemkin #288; RMG #19449
+ PDep reaction: PDepNetwork #145
+ Flux pairs: C5H6O2(1308), CHCHO(87); C5H6O2(1308), C#CCO(1295);
+- equation: C5H6O2(1287) <=> CHCHO(87) + C#CCO(1295) # Reaction 289
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-27.27, 0.8747, -0.4391, -0.05078]
+ - [27.6, 0.5192, 0.1741, -0.01624]
+ - [-0.1165, 0.08426, 0.06515, 0.03755]
+ - [-0.2471, 1.277e-04, -4.655e-03, -5.943e-03]
+ - [-0.1711, 0.05489, 0.01197, -6.221e-03]
+ - [-0.09975, 0.04803, 0.01445, 1.152e-03]
+ note: |-
+ Reaction index: Chemkin #289; RMG #19789
+ PDep reaction: PDepNetwork #146
+ Flux pairs: C5H6O2(1287), CHCHO(87); C5H6O2(1287), C#CCO(1295);
+- equation: C5H6O4(2687) <=> HO2(10) + C5H5O2(1266) # Reaction 290
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-38.54, 1.308, -0.2834, -0.05088]
+ - [28.36, -0.1598, 7.246e-03, 0.04849]
+ - [-1.034, 0.3228, 0.0858, -0.0197]
+ - [-0.5752, 0.2018, 0.02241, -0.02495]
+ - [-0.05784, 0.03971, 8.553e-03, 2.287e-03]
+ - [0.06311, -0.01424, 0.01123, 8.204e-03]
+ note: |-
+ Reaction index: Chemkin #290; RMG #20740
+ PDep reaction: PDepNetwork #150
+ Flux pairs: C5H6O4(2687), HO2(10); C5H6O4(2687), C5H5O2(1266);
+- equation: C5H6O2(3810) <=> furfuryl(1) # Reaction 291
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-52.94, 3.847, -0.09332, -0.04003]
+ - [32.29, 0.1551, 0.08829, 0.03154]
+ - [-4.884, -0.05299, -0.02805, -7.909e-03]
+ - [-2.042, -0.0144, -9.893e-03, -5.1e-03]
+ - [-0.2184, 0.01422, 8.435e-03, 3.27e-03]
+ - [0.2693, 2.451e-03, 1.854e-03, 1.136e-03]
+ note: |-
+ Reaction index: Chemkin #291; RMG #22277
+ PDep reaction: PDepNetwork #152
+ Flux pairs: C5H6O2(3810), furfuryl(1);
+- equation: C5H6O2(1246) <=> C5H6O2(3810) # Reaction 292
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-24.71, 3.884, -0.07187, -0.03217]
+ - [8.045, 0.1172, 0.06746, 0.02486]
+ - [-4.144, -0.0661, -0.03655, -0.01182]
+ - [-1.626, 0.0213, 0.01137, 3.298e-03]
+ - [-8.116e-04, 1.29e-05, 2.424e-05, -1.805e-05]
+ - [0.07293, -9.233e-03, -4.879e-03, -1.266e-03]
+ note: |-
+ Reaction index: Chemkin #292; RMG #20212
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(3810);
+- equation: C5H6O2(1249) <=> C5H6O2(3810) # Reaction 293
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-35.04, 3.782, -0.1371, -0.06347]
+ - [15.8, 0.1757, 0.1025, 0.03917]
+ - [-4.533, -0.05759, -0.03066, -8.741e-03]
+ - [-2.124, -1.682e-03, -1.89e-03, -1.468e-03]
+ - [-0.249, 0.02067, 0.01257, 5.226e-03]
+ - [0.2112, -2.026e-03, -7.214e-04, 2.264e-04]
+ note: |-
+ Reaction index: Chemkin #293; RMG #20241
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), C5H6O2(3810);
+- equation: C5H6O2(1274) <=> C5H6O2(3810) # Reaction 294
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-50.64, 3.848, -0.09301, -0.04015]
+ - [28.43, 0.15, 0.0851, 0.03007]
+ - [-4.441, -0.05734, -0.03099, -9.443e-03]
+ - [-2.039, -0.01441, -0.01008, -5.377e-03]
+ - [-0.363, 0.01427, 8.375e-03, 3.143e-03]
+ - [0.08893, 4.679e-04, 6.19e-04, 5.945e-04]
+ note: |-
+ Reaction index: Chemkin #294; RMG #20270
+ PDep reaction: PDepNetwork #37
+ Flux pairs: C5H6O2(1274), C5H6O2(3810);
+- equation: C5H6O2(1347) <=> C5H6O2(3810) # Reaction 295
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-28.21, 3.866, -0.08237, -0.03607]
+ - [9.432, 0.1373, 0.07853, 0.02844]
+ - [-4.657, -0.06575, -0.03627, -0.01172]
+ - [-2.197, 3.335e-03, 6.803e-04, -9.226e-04]
+ - [-0.2358, 0.01297, 7.638e-03, 2.888e-03]
+ - [0.1164, -0.01004, -5.643e-03, -1.873e-03]
+ note: |-
+ Reaction index: Chemkin #295; RMG #20299
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(3810);
+- equation: C5H6O2(1346) <=> C5H6O2(3810) # Reaction 296
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-27.99, 3.867, -0.08184, -0.03587]
+ - [9.323, 0.1366, 0.07813, 0.02832]
+ - [-4.685, -0.06604, -0.03645, -0.0118]
+ - [-2.204, 4.342e-03, 1.282e-03, -6.835e-04]
+ - [-0.2317, 0.01253, 7.379e-03, 2.788e-03]
+ - [0.1135, -0.01042, -5.857e-03, -1.946e-03]
+ note: |-
+ Reaction index: Chemkin #296; RMG #20328
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(3810);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(3810) # Reaction 297
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-24.75, 1.861, -0.08492, -0.03692]
+ - [10.48, 0.1437, 0.08221, 0.02981]
+ - [-4.235, -0.06242, -0.03407, -0.01064]
+ - [-1.989, -1.559e-03, -2.164e-03, -1.963e-03]
+ - [-0.1263, 0.01577, 9.352e-03, 3.624e-03]
+ - [0.2428, -7.168e-03, -3.939e-03, -1.207e-03]
+ note: |-
+ Reaction index: Chemkin #297; RMG #20357
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(3810); C5H5O(1263), C5H6O2(3810);
+- equation: C5H6O2(1275) <=> C5H6O2(3810) # Reaction 298
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-29.66, 3.868, -0.08175, -0.03623]
+ - [15.15, 0.1278, 0.07278, 0.02596]
+ - [-3.75, -0.06943, -0.03882, -0.01311]
+ - [-1.553, 5.46e-03, 1.771e-03, -7.031e-04]
+ - [-0.05545, 9.133e-03, 5.259e-03, 1.834e-03]
+ - [0.08702, -0.01241, -7.1e-03, -2.505e-03]
+ note: |-
+ Reaction index: Chemkin #298; RMG #20386
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), C5H6O2(3810);
+- equation: C5H6O2(3810) <=> C5H6O2(1748) # Reaction 299
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-27.86, 3.816, -0.09857, -0.03159]
+ - [18.15, 0.2442, 0.1264, 0.03638]
+ - [-2.968, -0.04465, -0.01626, 1.575e-03]
+ - [-0.6941, -0.02722, -0.01711, -7.357e-03]
+ - [-0.1458, 9.125e-03, 3.16e-03, -7.172e-04]
+ - [-0.02365, 2.591e-03, 2.437e-03, 1.598e-03]
+ note: |-
+ Reaction index: Chemkin #299; RMG #22271
+ PDep reaction: PDepNetwork #152
+ Flux pairs: C5H6O2(3810), C5H6O2(1748);
+- equation: C5H6O2(3537) <=> C5H6O2(3810) # Reaction 300
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-31.64, 3.919, -0.05003, -0.02241]
+ - [17.37, 0.06456, 0.03487, 0.01051]
+ - [-4.225, -0.05553, -0.03031, -9.461e-03]
+ - [-1.445, 0.02767, 0.01428, 3.528e-03]
+ - [-0.1184, -0.02182, -0.01231, -4.256e-03]
+ - [-9.358e-06, 6.663e-03, 3.814e-03, 1.362e-03]
+ note: |-
+ Reaction index: Chemkin #300; RMG #20444
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), C5H6O2(3810);
+- equation: C5H6O2(1308) <=> C5H6O2(3810) # Reaction 301
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-40.29, 3.888, -0.06861, -0.02991]
+ - [24.33, 0.02545, 9.601e-03, -1.694e-03]
+ - [-4.173, -0.0731, -0.0378, -9.413e-03]
+ - [-1.319, 0.02053, 9.664e-03, 1.251e-03]
+ - [-0.09098, -0.0292, -0.01516, -3.819e-03]
+ - [-4.481e-03, 0.01352, 8.059e-03, 3.136e-03]
+ note: |-
+ Reaction index: Chemkin #301; RMG #20473
+ PDep reaction: PDepNetwork #145
+ Flux pairs: C5H6O2(1308), C5H6O2(3810);
+- equation: C5H6O2(1287) <=> C5H6O2(3810) # Reaction 302
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-43.62, 3.772, -0.1234, -0.03986]
+ - [26.11, 0.2545, 0.1229, 0.02378]
+ - [-4.666, -0.148, -0.06811, -8.212e-03]
+ - [-1.753, 0.1297, 0.07446, 0.02629]
+ - [-0.07629, -0.03886, -0.02945, -0.01649]
+ - [-8.983e-03, -0.01054, 1.69e-03, 7.414e-03]
+ note: |-
+ Reaction index: Chemkin #302; RMG #20502
+ PDep reaction: PDepNetwork #146
+ Flux pairs: C5H6O2(1287), C5H6O2(3810);
+- equation: furfuryl(1) <=> C5H6O2(3988) # Reaction 303
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-23.72, -0.1957, -0.3592, -0.04935]
+ - [27.58, 2.141, 0.1622, -0.02371]
+ - [-1.131, 0.2909, -0.2191, 4.241e-03]
+ - [-0.5865, -0.01007, -0.06233, 0.04059]
+ - [-0.2639, 0.1746, 0.08524, -4.771e-03]
+ - [-0.1197, 0.109, 0.01706, -0.04749]
+ note: |-
+ Reaction index: Chemkin #303; RMG #21394
+ PDep reaction: PDepNetwork #28
+ Flux pairs: furfuryl(1), C5H6O2(3988);
+- equation: C5H6O2(3810) <=> C5H6O2(3538) # Reaction 304
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-26.79, 4.0, -2.1e-04, -7.909e-05]
+ - [21.74, 5.845e-04, 3.134e-04, 1.045e-04]
+ - [-2.0, -3.173e-04, -1.482e-04, -2.815e-05]
+ - [-0.4621, 1.581e-04, 6.33e-05, 7.365e-07]
+ - [-0.04719, -7.932e-05, -3.113e-05, -1.689e-07]
+ - [0.02821, 2.549e-05, 8.61e-06, -1.305e-06]
+ note: |-
+ Reaction index: Chemkin #304; RMG #21780
+ PDep reaction: PDepNetwork #152
+ Flux pairs: C5H6O2(3810), C5H6O2(3538);
+- equation: C5H6O2(3538) <=> C5H6O2(2772) # Reaction 305
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-51.68, 3.968, -0.0214, -0.01104]
+ - [35.51, 0.01681, 0.01053, 4.876e-03]
+ - [-2.976, -2.331e-05, 1.018e-03, 1.449e-03]
+ - [-0.9454, 3.499e-03, 1.83e-03, 5.219e-04]
+ - [-0.1182, -2.753e-03, -1.336e-03, -2.562e-04]
+ - [0.03593, 6.981e-04, 2.072e-04, -1.159e-04]
+ note: |-
+ Reaction index: Chemkin #305; RMG #21881
+ PDep reaction: PDepNetwork #151
+ Flux pairs: C5H6O2(3538), C5H6O2(2772);
+- equation: C5H6O2(1774) <=> C5H6O2(3538) # Reaction 306
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-13.72, 3.932, -0.04412, -0.02154]
+ - [5.083, 0.029, 0.01498, 3.825e-03]
+ - [-2.807, -0.03035, -0.01642, -5.032e-03]
+ - [-0.9453, 0.01114, 4.87e-03, 2.284e-04]
+ - [-0.0802, -0.01433, -7.852e-03, -2.513e-03]
+ - [0.02032, 5.219e-03, 2.702e-03, 6.977e-04]
+ note: |-
+ Reaction index: Chemkin #306; RMG #26508
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(3538);
+- equation: C5H6O2(1302) <=> C5H6O2(3538) # Reaction 307
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-22.99, 3.963, -0.02432, -0.01209]
+ - [14.62, 0.02395, 0.0143, 5.957e-03]
+ - [-3.313, -5.086e-03, -1.431e-03, 9.981e-04]
+ - [-1.021, 7.087e-03, 3.561e-03, 8.351e-04]
+ - [-0.1263, -5.309e-03, -2.567e-03, -4.784e-04]
+ - [0.03213, 2.116e-03, 8.852e-04, -6.575e-07]
+ note: |-
+ Reaction index: Chemkin #307; RMG #25535
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), C5H6O2(3538);
+- equation: C5H6O2(3538) <=> C5H6O2(2848) # Reaction 308
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-49.14, 3.967, -0.02222, -0.01169]
+ - [35.21, 0.01686, 0.01096, 5.445e-03]
+ - [-3.045, 1.582e-03, 1.791e-03, 1.592e-03]
+ - [-0.9484, 2.39e-03, 1.309e-03, 4.427e-04]
+ - [-0.1148, -1.99e-03, -9.876e-04, -2.143e-04]
+ - [0.03981, 1.967e-04, -3.504e-05, -1.621e-04]
+ note: |-
+ Reaction index: Chemkin #308; RMG #21891
+ PDep reaction: PDepNetwork #151
+ Flux pairs: C5H6O2(3538), C5H6O2(2848);
+- equation: C5H6O2(3538) <=> C5H6O2(2433) # Reaction 309
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-47.15, 3.966, -0.02278, -0.01183]
+ - [35.15, 0.01846, 0.01171, 5.565e-03]
+ - [-3.225, 1.699e-04, 1.128e-03, 1.491e-03]
+ - [-1.102, 3.479e-03, 1.834e-03, 5.398e-04]
+ - [-0.1489, -2.736e-03, -1.337e-03, -2.675e-04]
+ - [0.06225, 6.245e-04, 1.623e-04, -1.359e-04]
+ note: |-
+ Reaction index: Chemkin #309; RMG #21893
+ PDep reaction: PDepNetwork #151
+ Flux pairs: C5H6O2(3538), C5H6O2(2433);
+- equation: C5H6O2(3538) <=> CHCHO(87) + C#CCO(1295) # Reaction 310
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-50.16, 1.923, -0.04965, -0.02416]
+ - [36.7, 0.0518, 0.02991, 0.01121]
+ - [-2.813, -0.03187, -0.0168, -4.528e-03]
+ - [-0.8813, 0.01721, 8.534e-03, 1.705e-03]
+ - [-0.03962, -0.01496, -7.972e-03, -2.242e-03]
+ - [9.42e-03, 9.713e-03, 5.638e-03, 2.138e-03]
+ note: |-
+ Reaction index: Chemkin #310; RMG #21896
+ PDep reaction: PDepNetwork #151
+ Flux pairs: C5H6O2(3538), CHCHO(87); C5H6O2(3538), C#CCO(1295);
+- equation: C5H6O2(3538) <=> OH(7) + C5H5O(1296) # Reaction 311
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-52.32, 1.92, -0.05147, -0.02477]
+ - [36.79, 0.05774, 0.03323, 0.01233]
+ - [-2.775, -0.03635, -0.01932, -5.385e-03]
+ - [-0.8926, 0.02003, 0.01016, 2.297e-03]
+ - [-0.02811, -0.01612, -8.687e-03, -2.549e-03]
+ - [6.207e-03, 9.685e-03, 5.693e-03, 2.231e-03]
+ note: |-
+ Reaction index: Chemkin #311; RMG #21897
+ PDep reaction: PDepNetwork #151
+ Flux pairs: C5H6O2(3538), OH(7); C5H6O2(3538), C5H5O(1296);
+- equation: C5H6O2(3538) <=> H(3) + C5H5O2(1266) # Reaction 312
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-53.24, 1.866, -0.0824, -0.03609]
+ - [36.94, 0.1368, 0.07825, 0.02833]
+ - [-3.103, -0.06508, -0.03578, -0.01143]
+ - [-1.602, 4.9e-03, 1.749e-03, -3.544e-04]
+ - [-0.07237, 0.01305, 7.754e-03, 3.009e-03]
+ - [0.2038, -0.01023, -5.76e-03, -1.925e-03]
+ note: |-
+ Reaction index: Chemkin #312; RMG #21899
+ PDep reaction: PDepNetwork #151
+ Flux pairs: C5H6O2(3538), H(3); C5H6O2(3538), C5H5O2(1266);
+- equation: C5H6O2(3810) <=> C5H6O2(2772) # Reaction 313
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-53.12, 3.969, -0.02073, -0.01072]
+ - [33.19, 0.01843, 0.01154, 5.345e-03]
+ - [-4.363, 6.129e-04, 1.378e-03, 1.58e-03]
+ - [-1.406, 3.459e-03, 1.75e-03, 4.348e-04]
+ - [-0.1294, -2.817e-03, -1.418e-03, -3.32e-04]
+ - [0.0779, 8.691e-04, 3.003e-04, -8.548e-05]
+ note: |-
+ Reaction index: Chemkin #313; RMG #22272
+ PDep reaction: PDepNetwork #152
+ Flux pairs: C5H6O2(3810), C5H6O2(2772);
+- equation: C5H6O2(1774) <=> C5H6O2(3810) # Reaction 314
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-15.42, 3.932, -0.04408, -0.02153]
+ - [2.837, 0.02853, 0.01465, 3.642e-03]
+ - [-4.098, -0.03166, -0.01733, -5.534e-03]
+ - [-1.384, 9.56e-03, 3.785e-03, -3.587e-04]
+ - [-0.09373, -0.01526, -8.491e-03, -2.857e-03]
+ - [0.0553, 5.106e-03, 2.624e-03, 6.577e-04]
+ note: |-
+ Reaction index: Chemkin #314; RMG #26509
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(3810);
+- equation: C5H6O2(1302) <=> C5H6O2(3810) # Reaction 315
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-24.72, 3.964, -0.0236, -0.01176]
+ - [12.33, 0.02568, 0.01537, 6.445e-03]
+ - [-4.629, -4.364e-03, -1.03e-03, 1.135e-03]
+ - [-1.46, 7.09e-03, 3.497e-03, 7.459e-04]
+ - [-0.1303, -5.339e-03, -2.636e-03, -5.553e-04]
+ - [0.07672, 2.315e-03, 9.909e-04, 3.156e-05]
+ note: |-
+ Reaction index: Chemkin #315; RMG #25536
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), C5H6O2(3810);
+- equation: C5H6O2(3810) <=> C5H6O2(2848) # Reaction 316
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-50.57, 3.968, -0.02151, -0.01135]
+ - [32.91, 0.01852, 0.012, 5.935e-03]
+ - [-4.428, 2.173e-03, 2.126e-03, 1.713e-03]
+ - [-1.413, 2.278e-03, 1.183e-03, 3.331e-04]
+ - [-0.1301, -2.099e-03, -1.097e-03, -3.029e-04]
+ - [0.08056, 3.677e-04, 6.035e-05, -1.287e-04]
+ note: |-
+ Reaction index: Chemkin #316; RMG #22282
+ PDep reaction: PDepNetwork #152
+ Flux pairs: C5H6O2(3810), C5H6O2(2848);
+- equation: C5H6O2(3810) <=> C5H6O2(2433) # Reaction 317
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-48.58, 3.967, -0.02207, -0.01149]
+ - [32.84, 0.02014, 0.01277, 6.058e-03]
+ - [-4.611, 7.919e-04, 1.478e-03, 1.616e-03]
+ - [-1.564, 3.388e-03, 1.719e-03, 4.33e-04]
+ - [-0.1613, -2.832e-03, -1.441e-03, -3.552e-04]
+ - [0.1038, 8.009e-04, 2.597e-04, -1.028e-04]
+ note: |-
+ Reaction index: Chemkin #317; RMG #22284
+ PDep reaction: PDepNetwork #152
+ Flux pairs: C5H6O2(3810), C5H6O2(2433);
+- equation: C5H6O2(3810) <=> CHCHO(87) + C#CCO(1295) # Reaction 318
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-51.54, 1.925, -0.04844, -0.0235]
+ - [34.48, 0.05448, 0.03174, 0.01222]
+ - [-4.141, -0.03074, -0.01603, -4.112e-03]
+ - [-1.323, 0.01726, 8.562e-03, 1.718e-03]
+ - [-0.05649, -0.01495, -7.975e-03, -2.248e-03]
+ - [0.03967, 0.01008, 5.88e-03, 2.262e-03]
+ note: |-
+ Reaction index: Chemkin #318; RMG #22287
+ PDep reaction: PDepNetwork #152
+ Flux pairs: C5H6O2(3810), CHCHO(87); C5H6O2(3810), C#CCO(1295);
+- equation: C5H6O2(3810) <=> OH(7) + C5H5O(1296) # Reaction 319
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-53.7, 1.921, -0.05025, -0.02411]
+ - [34.57, 0.06043, 0.03508, 0.01335]
+ - [-4.102, -0.03521, -0.01855, -4.966e-03]
+ - [-1.333, 0.02008, 0.01019, 2.312e-03]
+ - [-0.04438, -0.01612, -8.692e-03, -2.556e-03]
+ - [0.03636, 0.01005, 5.935e-03, 2.354e-03]
+ note: |-
+ Reaction index: Chemkin #319; RMG #22288
+ PDep reaction: PDepNetwork #152
+ Flux pairs: C5H6O2(3810), OH(7); C5H6O2(3810), C5H5O(1296);
+- equation: C5H6O2(3810) <=> H(3) + C5H5O2(1266) # Reaction 320
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-54.7, 1.868, -0.08125, -0.03551]
+ - [34.61, 0.1387, 0.07954, 0.02905]
+ - [-4.476, -0.06481, -0.03556, -0.01127]
+ - [-2.047, 5.345e-03, 1.974e-03, -3.003e-04]
+ - [-0.07759, 0.01315, 7.798e-03, 3.012e-03]
+ - [0.2394, -0.01032, -5.782e-03, -1.896e-03]
+ note: |-
+ Reaction index: Chemkin #320; RMG #22290
+ PDep reaction: PDepNetwork #152
+ Flux pairs: C5H6O2(3810), H(3); C5H6O2(3810), C5H5O2(1266);
+- equation: C5H6O2(4237) <=> furfuryl(1) # Reaction 321
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-4.129, 0.7333, -0.5555, 0.02802]
+ - [3.092, 1.905, -0.02157, -0.07508]
+ - [-0.5183, 0.06214, 0.1411, 0.0162]
+ - [-0.5632, -0.1624, 0.05205, 0.02122]
+ - [-0.2075, -3.529e-03, -0.01494, -1.732e-04]
+ - [0.01561, 0.07088, -0.01426, -6.726e-03]
+ note: |-
+ Reaction index: Chemkin #321; RMG #25945
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), furfuryl(1);
+- equation: OH(7) + furfuryl(1) <=> OH(7) + C5H6O2(1598) # Reaction 322
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-33.78, -6.914e-04, -4.822e-04, -2.719e-04]
+ - [32.74, -7.527e-04, -5.248e-04, -2.958e-04]
+ - [0.5891, -4.488e-05, -3.124e-05, -1.755e-05]
+ - [0.1076, 1.722e-04, 1.201e-04, 6.767e-05]
+ - [0.01042, 7.449e-05, 5.189e-05, 2.919e-05]
+ - [-2.291e-03, -1.661e-06, -1.189e-06, -7.04e-07]
+ note: |-
+ Reaction index: Chemkin #322; RMG #7750
+ PDep reaction: PDepNetwork #46
+ Flux pairs: furfuryl(1), C5H6O2(1598); OH(7), OH(7);
+- equation: C5H6O2(1598) <=> furfuryl(1) # Reaction 323
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-24.38, -0.5552, -0.3464, 0.03896]
+ - [23.27, 1.759, -0.2784, -0.02995]
+ - [-0.8453, 0.4588, -5.461e-03, -0.0203]
+ - [-0.3108, -0.08485, 0.02753, 0.01718]
+ - [5.118e-03, -0.1177, 0.01352, 0.01978]
+ - [0.06333, -0.03048, 0.01405, 6.488e-03]
+ note: |-
+ Reaction index: Chemkin #323; RMG #24475
+ PDep reaction: PDepNetwork #155
+ Flux pairs: C5H6O2(1598), furfuryl(1);
+- equation: C5H6O2(1246) <=> C5H6O2(1598) # Reaction 324
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [0.3006, 0.9399, -0.3228, 0.0268]
+ - [2.111, 1.176, -0.2798, -0.03312]
+ - [0.1381, 0.3449, 0.05019, -0.02226]
+ - [-0.1977, -0.05543, 0.1204, 0.01909]
+ - [-0.1757, -0.07746, 0.04062, 0.01935]
+ - [-0.07491, 0.01667, -0.02484, -3.399e-03]
+ note: |-
+ Reaction index: Chemkin #324; RMG #16352
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(1598);
+- equation: C5H6O2(1249) <=> C5H6O2(1598) # Reaction 325
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.93, -0.2849, -0.4367, 5.814e-03]
+ - [8.387, 2.045, -0.24, -0.03796]
+ - [-0.2532, 0.3556, 0.04256, -0.01065]
+ - [-0.2747, -0.185, 0.05708, 0.02475]
+ - [-0.09493, -0.118, 0.02883, 0.01234]
+ - [-0.03041, 0.01752, 0.01143, -4.455e-03]
+ note: |-
+ Reaction index: Chemkin #325; RMG #16416
+ PDep reaction: PDepNetwork #36
+ Flux pairs: C5H6O2(1249), C5H6O2(1598);
+- equation: C5H6O2(1274) <=> C5H6O2(1598) # Reaction 326
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-25.45, 1.088, -0.7548, 0.04607]
+ - [25.03, 0.6217, 0.02877, -0.09395]
+ - [-1.906, 0.3018, 0.1345, 0.01889]
+ - [-0.6387, 3.932e-03, 0.02713, 0.01254]
+ - [-0.3308, 0.01409, 1.306e-03, -8.979e-04]
+ - [-0.1467, 0.02155, 2.004e-03, -1.672e-03]
+ note: |-
+ Reaction index: Chemkin #326; RMG #16480
+ PDep reaction: PDepNetwork #37
+ Flux pairs: C5H6O2(1274), C5H6O2(1598);
+- equation: C5H6O2(1347) <=> C5H6O2(1598) # Reaction 327
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.174, 1.389, -0.6972, 0.03454]
+ - [5.564, 1.013, 0.1138, -0.106]
+ - [-1.858, 0.3833, 0.1588, 0.02211]
+ - [-0.7219, -0.0351, 0.01588, 0.01372]
+ - [-0.3811, 3.802e-03, -7.222e-03, -5.083e-03]
+ - [-0.1569, 0.0459, 7.776e-03, -3.47e-03]
+ note: |-
+ Reaction index: Chemkin #327; RMG #16544
+ PDep reaction: PDepNetwork #39
+ Flux pairs: C5H6O2(1347), C5H6O2(1598);
+- equation: C5H6O2(1346) <=> C5H6O2(1598) # Reaction 328
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.039, 1.402, -0.6946, 0.03407]
+ - [5.435, 1.029, 0.1175, -0.1063]
+ - [-1.876, 0.3855, 0.1599, 0.02239]
+ - [-0.7306, -0.03706, 0.01545, 0.0138]
+ - [-0.3842, 3.775e-03, -7.505e-03, -5.293e-03]
+ - [-0.1581, 0.04715, 8.047e-03, -3.552e-03]
+ note: |-
+ Reaction index: Chemkin #328; RMG #16608
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(1598);
+- equation: OH(7) + C5H5O(1263) <=> C5H6O2(1598) # Reaction 329
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.637, -1.85, -0.4483, 0.03264]
+ - [3.729, 2.077, -0.1863, -0.05655]
+ - [5.58e-03, 0.1833, 0.09987, 3.005e-03]
+ - [-0.2584, -0.2201, 0.06792, 0.02477]
+ - [-0.124, -0.06383, 0.01819, 3.799e-03]
+ - [-0.02989, 0.06314, -8.535e-03, -6.828e-03]
+ note: |-
+ Reaction index: Chemkin #329; RMG #16672
+ PDep reaction: PDepNetwork #137
+ Flux pairs: OH(7), C5H6O2(1598); C5H5O(1263), C5H6O2(1598);
+- equation: C5H6O2(1275) <=> C5H6O2(1598) # Reaction 330
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-4.932, 0.06677, -0.5175, -7.006e-03]
+ - [11.99, 1.972, -0.2554, 3.102e-03]
+ - [-0.04079, -0.1639, 0.261, 0.02571]
+ - [-0.4267, -0.1077, 0.03804, -0.03136]
+ - [-0.01845, 0.1121, -0.05904, 0.02366]
+ - [-0.03223, -0.01901, 0.02105, 0.01463]
+ note: |-
+ Reaction index: Chemkin #330; RMG #18024
+ PDep reaction: PDepNetwork #142
+ Flux pairs: C5H6O2(1275), C5H6O2(1598);
+- equation: C5H6O2(1598) <=> C5H6O2(1748) # Reaction 331
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-45.64, 3.481, -0.2604, -0.07103]
+ - [36.24, 0.4108, 0.2015, 0.03978]
+ - [-2.021, -0.3094, -0.1549, -0.03856]
+ - [-0.8039, 0.04939, 0.07267, 0.05637]
+ - [0.05859, 0.05825, 8.996e-03, -0.0212]
+ - [0.03281, -0.07998, -0.03478, -4.866e-04]
+ note: |-
+ Reaction index: Chemkin #331; RMG #24486
+ PDep reaction: PDepNetwork #155
+ Flux pairs: C5H6O2(1598), C5H6O2(1748);
+- equation: C5H6O2(1287) <=> C5H6O2(1598) # Reaction 332
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-4.327, 0.2931, -0.1078, 0.02469]
+ - [12.19, 0.4857, -0.1646, 0.03142]
+ - [-0.1602, 0.2888, -0.07422, 5.826e-03]
+ - [-0.1113, 0.1186, -8.172e-03, -6.219e-03]
+ - [-0.05664, 0.02821, 0.01503, -4.633e-03]
+ - [-0.03073, 2.409e-03, 0.01164, 5.115e-04]
+ note: |-
+ Reaction index: Chemkin #332; RMG #19035
+ PDep reaction: PDepNetwork #146
+ Flux pairs: C5H6O2(1287), C5H6O2(1598);
+- equation: C5H6O2(3537) <=> C5H6O2(1598) # Reaction 333
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [0.3606, -0.3027, -0.1158, 0.04335]
+ - [7.327, 1.205, -0.3546, 2.242e-03]
+ - [-0.2238, 0.4182, -0.01037, -0.02362]
+ - [-0.1272, 0.07954, 0.05026, 5.081e-03]
+ - [-0.05269, -0.0154, 0.01912, 9.24e-03]
+ - [-0.03453, -5.954e-03, 3.789e-03, 1.898e-03]
+ note: |-
+ Reaction index: Chemkin #333; RMG #19141
+ PDep reaction: PDepNetwork #144
+ Flux pairs: C5H6O2(3537), C5H6O2(1598);
+- equation: C5H6O2(1308) <=> C5H6O2(1598) # Reaction 334
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-9.189, -1.167, -0.08332, 0.08095]
+ - [14.89, 1.131, -0.5437, -8.299e-03]
+ - [-0.05839, 0.587, 0.02164, -0.0455]
+ - [-0.136, 0.07409, 0.08139, 0.02617]
+ - [-0.02895, -0.05801, 0.01514, 0.01447]
+ - [2.868e-03, -0.0222, -4.361e-03, -1.238e-03]
+ note: |-
+ Reaction index: Chemkin #334; RMG #19612
+ PDep reaction: PDepNetwork #145
+ Flux pairs: C5H6O2(1308), C5H6O2(1598);
+- equation: C5H6O2(3538) <=> C5H6O2(1598) # Reaction 335
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-48.62, 3.526, -0.2431, -0.06876]
+ - [34.93, 0.4904, 0.233, 0.04495]
+ - [-3.6, -0.2625, -0.1397, -0.03859]
+ - [-1.395, 0.07635, 0.07765, 0.05329]
+ - [0.01765, 0.07397, 0.0108, -0.02381]
+ - [0.07307, -0.0734, -0.03456, -1.961e-03]
+ note: |-
+ Reaction index: Chemkin #335; RMG #22018
+ PDep reaction: PDepNetwork #151
+ Flux pairs: C5H6O2(3538), C5H6O2(1598);
+- equation: C5H6O2(3810) <=> C5H6O2(1598) # Reaction 336
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-50.28, 3.553, -0.2287, -0.06418]
+ - [32.25, 0.5315, 0.2549, 0.05214]
+ - [-5.175, -0.2447, -0.1309, -0.03607]
+ - [-1.895, 0.07911, 0.07701, 0.05171]
+ - [0.02857, 0.06864, 6.81e-03, -0.02569]
+ - [0.1276, -0.07728, -0.03644, -2.269e-03]
+ note: |-
+ Reaction index: Chemkin #336; RMG #22432
+ PDep reaction: PDepNetwork #152
+ Flux pairs: C5H6O2(3810), C5H6O2(1598);
+- equation: C5H6O2(1246) <=> C5H6O2(4237) # Reaction 337
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.105, 1.649, -0.4442, 0.01792]
+ - [7.153, 1.533, -0.02736, -0.0911]
+ - [-0.03395, 0.1944, 0.2332, 0.02394]
+ - [-0.5961, -0.1126, 0.02423, 0.0316]
+ - [-0.2023, 6.139e-03, -0.04656, -0.01373]
+ - [-4.656e-03, 0.06913, 0.01441, -7.142e-03]
+ note: |-
+ Reaction index: Chemkin #337; RMG #23193
+ PDep reaction: PDepNetwork #35
+ Flux pairs: C5H6O2(1246), C5H6O2(4237);
+- equation: C5H6O2(4237) <=> C5H6O2(1249) # Reaction 338
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-9.342, 0.9471, -0.6068, -0.01132]
+ - [4.672, 2.005, 0.05814, -0.07244]
+ - [-0.2299, 0.04397, 0.1643, 0.01696]
+ - [-0.6215, -0.1474, 0.03602, 0.02207]
+ - [-0.2582, 0.01126, -0.02932, -2.991e-03]
+ - [-0.01528, 0.07422, -4.651e-03, -8.489e-03]
+ note: |-
+ Reaction index: Chemkin #338; RMG #25946
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(1249);
+- equation: C5H6O2(4237) <=> C5H6O2(1274) # Reaction 339
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-7.86, 1.52, -0.6753, 0.02633]
+ - [5.386, 1.162, 0.1492, -0.1107]
+ - [-1.519, 0.3762, 0.1653, 0.02702]
+ - [-0.701, -0.07241, 7.997e-03, 0.01538]
+ - [-0.4314, 4.567e-03, -0.01085, -7.792e-03]
+ - [-0.203, 0.0633, 0.01141, -4.423e-03]
+ note: |-
+ Reaction index: Chemkin #339; RMG #25947
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(1274);
+- equation: C5H6O2(4237) <=> C5H6O2(1347) # Reaction 340
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-10.62, 1.805, -0.6157, 0.01408]
+ - [6.481, 1.461, 0.2353, -0.1148]
+ - [-1.444, 0.3465, 0.18, 0.04008]
+ - [-0.859, -0.1388, -7.96e-03, 0.01755]
+ - [-0.454, 0.01705, -0.01563, -0.01321]
+ - [-0.1705, 0.08917, 0.01886, -4.649e-03]
+ note: |-
+ Reaction index: Chemkin #340; RMG #25948
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(1347);
+- equation: C5H6O2(1346) <=> C5H6O2(4237) # Reaction 341
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-9.155, 1.817, -0.6132, 0.01363]
+ - [7.894, 1.472, 0.2389, -0.1147]
+ - [-1.333, 0.344, 0.1803, 0.04073]
+ - [-0.8201, -0.1416, -8.721e-03, 0.01761]
+ - [-0.4362, 0.0176, -0.01576, -0.01338]
+ - [-0.1624, 0.08977, 0.01913, -4.588e-03]
+ note: |-
+ Reaction index: Chemkin #341; RMG #23313
+ PDep reaction: PDepNetwork #40
+ Flux pairs: C5H6O2(1346), C5H6O2(4237);
+- equation: C5H6O2(4237) <=> OH(7) + C5H5O(1263) # Reaction 342
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.793, -0.7475, -0.5646, 9.14e-03]
+ - [5.738, 1.956, 0.1077, -0.07818]
+ - [-0.2072, 0.03874, 0.1786, 0.02181]
+ - [-0.656, -0.1393, 0.01782, 0.02586]
+ - [-0.227, 0.01361, -0.03503, -6.546e-03]
+ - [7.129e-03, 0.07414, 5.802e-03, -9.709e-03]
+ note: |-
+ Reaction index: Chemkin #342; RMG #25963
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), OH(7); C5H6O2(4237), C5H5O(1263);
+- equation: C5H6O2(4237) <=> C5H6O2(1275) # Reaction 343
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.012, 1.203, -0.7182, 3.554e-03]
+ - [5.538, 1.691, 0.2815, -0.05843]
+ - [-0.3976, 0.08687, 0.09859, 0.02436]
+ - [-0.3478, -0.09187, 6.817e-03, 9.568e-03]
+ - [-0.1635, 0.0158, 1.818e-04, -7.556e-04]
+ - [-0.0696, 0.05119, 2.647e-03, -2.406e-03]
+ note: |-
+ Reaction index: Chemkin #343; RMG #25954
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(1275);
+- equation: C5H6O2(4237) <=> C5H6O2(1748) # Reaction 344
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-19.44, 3.775, -0.1158, -0.03332]
+ - [12.8, 0.1406, 0.04218, -0.01766]
+ - [-2.41, -0.1007, -0.02486, 0.02108]
+ - [-0.7952, 0.1214, 0.05879, 9.983e-03]
+ - [0.0153, -0.04299, -0.02486, -7.089e-03]
+ - [-0.0639, 0.01218, 0.01157, 6.197e-03]
+ note: |-
+ Reaction index: Chemkin #344; RMG #25956
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(1748);
+- equation: C5H6O2(4237) <=> C5H6O2(3537) # Reaction 345
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-0.1861, 1.044, -0.4352, 0.03891]
+ - [2.928, 1.465, -0.05742, -0.04095]
+ - [-0.04069, 0.285, 0.108, -0.01353]
+ - [-0.3148, -0.03965, 0.06199, 6.689e-03]
+ - [-0.2221, -0.01889, 6.337e-03, 9.099e-03]
+ - [-0.1068, 0.0297, -9.217e-03, 7.803e-04]
+ note: |-
+ Reaction index: Chemkin #345; RMG #25950
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(3537);
+- equation: C5H6O2(4237) <=> C5H6O2(1308) # Reaction 346
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [0.7767, 0.2466, -0.5645, 0.07182]
+ - [3.651, 1.747, -0.0894, -0.09255]
+ - [-6.484e-03, 0.2773, 0.1412, 0.01393]
+ - [-0.2679, -0.1366, 0.04922, 0.01619]
+ - [-0.1493, -0.04859, -2.512e-03, 5.484e-03]
+ - [-0.06763, 0.04066, -4.986e-03, -2.014e-04]
+ note: |-
+ Reaction index: Chemkin #346; RMG #25957
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(1308);
+- equation: C5H6O2(4237) <=> C5H6O2(1287) # Reaction 347
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [5.326, 1.161, -0.334, 0.06514]
+ - [1.793, 1.216, -0.1388, -0.0338]
+ - [-0.2947, 0.3193, 0.08961, -0.02894]
+ - [-0.3259, -7.698e-03, 0.07321, 6.953e-03]
+ - [-0.2112, -0.01887, 0.01145, 0.01175]
+ - [-0.1055, 0.02168, -0.01128, 1.138e-03]
+ note: |-
+ Reaction index: Chemkin #347; RMG #25958
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(1287);
+- equation: C5H6O2(4237) <=> C5H6O2(3538) # Reaction 348
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-23.63, 3.793, -0.1051, -0.02906]
+ - [10.54, 0.1763, 0.06185, -0.01092]
+ - [-3.873, -0.09304, -0.02097, 0.02235]
+ - [-1.306, 0.1181, 0.05635, 8.665e-03]
+ - [0.01074, -0.05091, -0.02989, -9.213e-03]
+ - [-6.929e-04, 8.107e-03, 9.696e-03, 5.946e-03]
+ note: |-
+ Reaction index: Chemkin #348; RMG #25959
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(3538);
+- equation: C5H6O2(4237) <=> C5H6O2(3810) # Reaction 349
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-25.42, 3.807, -0.09664, -0.0255]
+ - [8.153, 0.1956, 0.07352, -5.948e-03]
+ - [-5.234, -0.09049, -0.01953, 0.02289]
+ - [-1.747, 0.1093, 0.05088, 6.31e-03]
+ - [0.02482, -0.05981, -0.03514, -0.0113]
+ - [0.05823, 5.401e-03, 8.181e-03, 5.421e-03]
+ note: |-
+ Reaction index: Chemkin #349; RMG #25960
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(3810);
+- equation: O2(2) + furfuryl(1) <=> C5H6O4(2682) # Reaction 350
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-9.76, 0.5415, -0.4611, -0.0223]
+ - [11.43, 0.2213, 0.1878, 0.04614]
+ - [-0.9912, 0.365, 0.02178, -0.02835]
+ - [-0.4045, 0.1475, -0.01426, -0.01092]
+ - [-0.03235, 0.03395, 0.01109, -2.615e-03]
+ - [-0.01297, 8.584e-03, 0.01444, -2.013e-03]
+ note: |-
+ Reaction index: Chemkin #350; RMG #12624
+ PDep reaction: PDepNetwork #29
+ Flux pairs: O2(2), C5H6O4(2682); furfuryl(1), C5H6O4(2682);
+- equation: C5H6O4(1523) <=> C5H6O4(2682) # Reaction 351
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.136, 1.496, -0.2925, -0.02286]
+ - [5.833, 0.5285, 0.04965, 9.931e-03]
+ - [-0.6564, 0.1116, -0.01319, 0.03333]
+ - [-0.1819, 0.05399, -0.02032, 9.831e-03]
+ - [-0.1396, 0.05336, -3.096e-03, -1.382e-03]
+ - [-0.1254, 0.0359, 5.002e-03, -1.758e-03]
+ note: |-
+ Reaction index: Chemkin #351; RMG #12655
+ PDep reaction: PDepNetwork #57
+ Flux pairs: C5H6O4(1523), C5H6O4(2682);
+- equation: C5H6O4(1707) <=> C5H6O4(2682) # Reaction 352
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [5.833, 1.117, -0.2151, 5.875e-03]
+ - [1.059, 0.9508, -0.1154, 8.145e-03]
+ - [-0.65, 0.3504, 2.953e-03, 8.672e-05]
+ - [-0.3155, 0.1248, 0.02424, 5.258e-04]
+ - [-0.176, 0.04933, 0.01732, 2.829e-03]
+ - [-0.1112, 0.03007, 8.106e-03, -1.307e-04]
+ note: |-
+ Reaction index: Chemkin #352; RMG #12686
+ PDep reaction: PDepNetwork #58
+ Flux pairs: C5H6O4(1707), C5H6O4(2682);
+- equation: C5H6O4(1283) <=> C5H6O4(2682) # Reaction 353
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.982, 2.224, -0.4369, 0.02573]
+ - [0.6464, 0.578, 0.2199, -9.072e-03]
+ - [-1.302, 0.4056, -0.01658, -0.02379]
+ - [-0.37, 0.09605, -0.02658, -3.691e-03]
+ - [-1.229e-03, 0.01236, 0.01324, -7.003e-03]
+ - [-0.03455, 0.01615, 0.01644, -4.387e-03]
+ note: |-
+ Reaction index: Chemkin #353; RMG #12717
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), C5H6O4(2682);
+- equation: C5H6O4(1280) <=> C5H6O4(2682) # Reaction 354
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [4.06, 1.514, -0.4106, -5.048e-03]
+ - [0.4432, 0.7248, -9.635e-03, -0.01058]
+ - [-1.033, 0.2442, 0.0327, 0.02248]
+ - [-0.2816, 0.07286, 0.01123, 4.357e-03]
+ - [-0.1032, 0.02013, -2.822e-03, -6.833e-03]
+ - [-0.1309, 0.02264, 4.484e-03, -1.979e-03]
+ note: |-
+ Reaction index: Chemkin #354; RMG #12748
+ PDep reaction: PDepNetwork #102
+ Flux pairs: C5H6O4(1280), C5H6O4(2682);
+- equation: C5H6O4(1634) <=> C5H6O4(2682) # Reaction 355
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-8.373, 1.38, -0.4414, -0.01858]
+ - [8.423, 0.5927, -0.02509, -0.01632]
+ - [-0.8409, 0.2104, 0.02671, 0.02308]
+ - [-0.2666, 0.06588, 7.385e-03, 7.934e-03]
+ - [-0.1752, 0.01326, -5.947e-03, -4.254e-03]
+ - [-0.1925, 0.0196, 5.193e-03, -1.373e-04]
+ note: |-
+ Reaction index: Chemkin #355; RMG #12779
+ PDep reaction: PDepNetwork #103
+ Flux pairs: C5H6O4(1634), C5H6O4(2682);
+- equation: C5H6O4(1828) <=> C5H6O4(2682) # Reaction 356
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.491, 1.453, -0.4309, -0.01476]
+ - [5.032, 0.656, -0.01233, -9.304e-03]
+ - [-0.9573, 0.227, 0.02805, 0.02259]
+ - [-0.2792, 0.06916, 8.668e-03, 5.951e-03]
+ - [-0.1079, 0.01592, -4.053e-03, -5.302e-03]
+ - [-0.1407, 0.01986, 4.66e-03, -1.107e-03]
+ note: |-
+ Reaction index: Chemkin #356; RMG #12810
+ PDep reaction: PDepNetwork #105
+ Flux pairs: C5H6O4(1828), C5H6O4(2682);
+- equation: C5H6O4(2010) <=> C5H6O4(2682) # Reaction 357
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-28.12, 0.8, -0.7018, -0.04453]
+ - [20.36, 1.015, 0.09408, -0.02924]
+ - [-0.9286, 0.287, 0.07045, 0.03031]
+ - [-0.3153, 0.0616, 0.01939, 0.01318]
+ - [-0.1235, 6.735e-03, -3.013e-03, -1.903e-03]
+ - [-0.1359, 0.01503, 2.115e-03, -1.13e-03]
+ note: |-
+ Reaction index: Chemkin #357; RMG #12841
+ PDep reaction: PDepNetwork #110
+ Flux pairs: C5H6O4(2010), C5H6O4(2682);
+- equation: C5H6O4(2682) <=> C5H6O4(2096) # Reaction 358
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-36.56, 0.7508, -0.7124, -0.04717]
+ - [26.63, 0.9638, 0.07925, -0.0346]
+ - [-0.5762, 0.2715, 0.06533, 0.02863]
+ - [-0.09209, 0.05923, 0.01798, 0.01319]
+ - [-0.07195, 5.546e-03, -3.395e-03, -1.533e-03]
+ - [-0.1656, 0.01426, 2.678e-03, -5.067e-04]
+ note: |-
+ Reaction index: Chemkin #358; RMG #24032
+ PDep reaction: PDepNetwork #154
+ Flux pairs: C5H6O4(2682), C5H6O4(2096);
+- equation: C5H6O4(2682) <=> C5H6O4(1802) # Reaction 359
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [2.424, 0.9263, -0.121, 0.02003]
+ - [6.078, 1.148, -0.05146, -2.283e-03]
+ - [-1.477, 0.3236, 0.04316, -3.688e-03]
+ - [-0.6351, 0.01559, 0.01126, 2.035e-03]
+ - [-0.2139, -1.423e-03, -0.01429, -6.664e-04]
+ - [-0.05058, 0.01961, -0.01169, -1.552e-03]
+ note: |-
+ Reaction index: Chemkin #359; RMG #24019
+ PDep reaction: PDepNetwork #154
+ Flux pairs: C5H6O4(2682), C5H6O4(1802);
+- equation: C5H6O4(2687) <=> C5H6O4(2682) # Reaction 360
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [9.5, 2.455, -0.1257, 0.01654]
+ - [-0.84, 0.6748, -0.1274, -4.547e-03]
+ - [-0.3994, 0.2993, 0.01806, -0.02362]
+ - [-0.2231, 0.0662, 0.0512, -9.529e-03]
+ - [-0.1276, 9.301e-03, 0.01902, 2.22e-03]
+ - [-0.06936, 0.01715, -2.356e-03, 1.426e-03]
+ note: |-
+ Reaction index: Chemkin #360; RMG #20610
+ PDep reaction: PDepNetwork #150
+ Flux pairs: C5H6O4(2687), C5H6O4(2682);
+- equation: C5H6O4(2682) <=> HO2(10) + C5H5O2(1266) # Reaction 361
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-48.47, 1.266, -0.2944, -0.05005]
+ - [37.29, -0.2142, -5.974e-03, 0.05093]
+ - [-0.8087, 0.2987, 0.07586, -0.02058]
+ - [-0.4828, 0.1964, 0.01578, -0.02692]
+ - [-0.08832, 0.04196, 5.855e-03, 7.141e-04]
+ - [5.045e-03, -0.01055, 0.01121, 7.192e-03]
+ note: |-
+ Reaction index: Chemkin #361; RMG #24034
+ PDep reaction: PDepNetwork #154
+ Flux pairs: C5H6O4(2682), HO2(10); C5H6O4(2682), C5H5O2(1266);
+- equation: furfuryl(1) <=> CO(49) + C4H6O(2975) # Reaction 362
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-28.24, -0.7545, -0.4731, -0.06161]
+ - [30.22, 1.258, -0.1957, 3.008e-03]
+ - [-0.4222, -0.1535, 0.1997, -7.442e-03]
+ - [-0.173, 0.1587, -0.09763, -0.03946]
+ - [-7.113e-03, -0.09516, -0.07065, 0.04008]
+ - [-0.03957, -9.212e-03, 0.04712, -0.01653]
+ note: |-
+ Reaction index: Chemkin #362; RMG #24389
+ PDep reaction: PDepNetwork #28
+ Flux pairs: furfuryl(1), CO(49); furfuryl(1), C4H6O(2975);
+- equation: C5H6O2(1302) <=> C5H6O2(1598) # Reaction 363
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [4.982, 0.5822, 0.0141, 0.06793]
+ - [2.716, 0.7962, -0.504, 0.01285]
+ - [-0.3588, 0.5002, 6.749e-03, -0.0601]
+ - [-0.2147, 0.1019, 0.09836, 0.01288]
+ - [-0.05904, -0.03418, 0.02602, 0.01659]
+ - [-7.903e-03, -0.01621, -4.69e-03, -1.1e-03]
+ note: |-
+ Reaction index: Chemkin #363; RMG #25460
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), C5H6O2(1598);
+- equation: C5H6O2(4237) <=> C5H6O2(1598) # Reaction 364
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [7.218, 2.616, -0.187, 0.03376]
+ - [0.75, 0.6507, -0.07158, -0.03073]
+ - [-0.376, 0.2191, 0.0451, -0.02394]
+ - [-0.1884, 0.02319, 0.04632, 1.084e-03]
+ - [-0.08425, -0.01928, 0.01712, 9.34e-03]
+ - [-0.04102, -6.609e-03, -1.175e-03, 5.037e-03]
+ note: |-
+ Reaction index: Chemkin #364; RMG #25511
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(1598);
+- equation: C5H6O2(1774) <=> C5H6O2(1598) # Reaction 365
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [6.793, 1.362, -0.5564, 0.04555]
+ - [-0.3281, 1.058, 0.05881, -0.06191]
+ - [-0.4807, 0.2401, 0.08674, -7.731e-03]
+ - [-0.2535, -0.01151, 0.04504, 0.01213]
+ - [-0.07902, -6.365e-03, 4.381e-03, 7.214e-03]
+ - [-0.01842, 0.02526, -6.175e-03, -1.236e-03]
+ note: |-
+ Reaction index: Chemkin #365; RMG #26510
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(1598);
+- equation: C5H6O2(1598) <=> C5H6O2(2772) # Reaction 366
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-27.8, 0.782, -0.2033, 0.1026]
+ - [24.8, 0.9807, -0.3187, -0.06478]
+ - [-0.2283, 0.4209, 0.07311, -0.01611]
+ - [-0.1919, 0.04107, 0.07777, 0.0103]
+ - [-0.06073, -0.03203, 0.01783, 5.37e-03]
+ - [-8.608e-03, 2.926e-03, -5.436e-03, 2.011e-03]
+ note: |-
+ Reaction index: Chemkin #366; RMG #24482
+ PDep reaction: PDepNetwork #155
+ Flux pairs: C5H6O2(1598), C5H6O2(2772);
+- equation: C5H6O2(1598) <=> C5H6O2(2848) # Reaction 367
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-27.1, 0.8801, -0.3787, 0.07418]
+ - [26.25, 1.172, -0.1284, -0.04286]
+ - [-0.4894, 0.301, 0.08136, -0.01307]
+ - [-0.2425, 0.01107, 0.06509, 4.256e-03]
+ - [-0.06321, -0.01824, 0.01224, 7.704e-03]
+ - [-8.687e-03, 0.01516, -7.122e-03, 2.502e-03]
+ note: |-
+ Reaction index: Chemkin #367; RMG #24483
+ PDep reaction: PDepNetwork #155
+ Flux pairs: C5H6O2(1598), C5H6O2(2848);
+- equation: C5H6O2(1598) <=> C5H6O2(2433) # Reaction 368
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-23.81, 0.5662, -0.3628, 0.07677]
+ - [25.14, 1.312, -0.1105, -0.03984]
+ - [-0.7085, 0.3402, 0.04225, -8.488e-03]
+ - [-0.3342, 0.02791, 0.05569, 1.047e-03]
+ - [-0.07702, -0.02647, 0.02047, 5.309e-03]
+ - [0.01738, 4.918e-03, -1.35e-03, 3.603e-03]
+ note: |-
+ Reaction index: Chemkin #368; RMG #24485
+ PDep reaction: PDepNetwork #155
+ Flux pairs: C5H6O2(1598), C5H6O2(2433);
+- equation: C5H6O2(1598) <=> CHCHO(87) + C#CCO(1295) # Reaction 369
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-34.75, 0.01654, -0.6659, -0.03715]
+ - [32.81, 1.03, 0.2667, -0.03987]
+ - [-0.6366, 0.1086, 0.09773, 0.04165]
+ - [-0.3351, -0.07217, -9.069e-03, 4.265e-03]
+ - [-0.075, 0.02638, 8.848e-05, -4.361e-03]
+ - [-8.374e-03, 0.05067, 8.022e-03, -2.812e-03]
+ note: |-
+ Reaction index: Chemkin #369; RMG #24490
+ PDep reaction: PDepNetwork #155
+ Flux pairs: C5H6O2(1598), CHCHO(87); C5H6O2(1598), C#CCO(1295);
+- equation: C5H6O2(1598) <=> OH(7) + C5H5O(1296) # Reaction 370
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-36.59, -0.0721, -0.6585, -0.01927]
+ - [32.57, 1.077, 0.2422, -0.05984]
+ - [-0.5815, 0.1302, 0.1135, 0.04574]
+ - [-0.334, -0.07602, -8.406e-03, 5.555e-03]
+ - [-0.07422, 0.02184, -2.342e-03, -5.554e-03]
+ - [-6.203e-03, 0.05231, 8.337e-03, -2.234e-03]
+ note: |-
+ Reaction index: Chemkin #370; RMG #24491
+ PDep reaction: PDepNetwork #155
+ Flux pairs: C5H6O2(1598), OH(7); C5H6O2(1598), C5H5O(1296);
+- equation: C5H6O2(1598) <=> H(3) + C5H5O2(1266) # Reaction 371
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-31.11, -1.574, -0.4893, 0.03136]
+ - [27.07, 2.07, -0.1146, -0.06552]
+ - [-0.201, 0.1152, 0.1302, 9.663e-03]
+ - [-0.3483, -0.1934, 0.06564, 0.02221]
+ - [-0.1507, -0.0226, 2.447e-03, 4.832e-04]
+ - [-0.01966, 0.07407, -0.01627, -6.514e-03]
+ note: |-
+ Reaction index: Chemkin #371; RMG #24493
+ PDep reaction: PDepNetwork #155
+ Flux pairs: C5H6O2(1598), H(3); C5H6O2(1598), C5H5O2(1266);
+- equation: C5H6O2(1302) <=> C5H6O2(2772) # Reaction 372
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.364, 3.613, -0.09547, 0.01411]
+ - [4.532, 0.3032, 0.02284, -0.042]
+ - [-0.3749, 0.05724, 0.0513, 0.01042]
+ - [-0.1138, -8.577e-03, 8.411e-03, 0.01226]
+ - [-0.02982, -7.522e-03, -5.919e-03, -4.259e-04]
+ - [-4.772e-03, -1.136e-03, -2.412e-03, -2.11e-03]
+ note: |-
+ Reaction index: Chemkin #372; RMG #25453
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), C5H6O2(2772);
+- equation: C5H6O2(1302) <=> C5H6O2(2848) # Reaction 373
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.095, 3.615, -0.1733, -0.03567]
+ - [6.446, 0.3689, 0.1432, 0.01028]
+ - [-0.5009, -9.671e-03, 0.01992, 0.0207]
+ - [-0.1583, -9.606e-03, -4.543e-03, 8.128e-04]
+ - [-0.03869, -2.589e-03, -3.182e-03, -2.285e-03]
+ - [-5.0e-03, -9.762e-04, -1.184e-03, -1.031e-03]
+ note: |-
+ Reaction index: Chemkin #373; RMG #25455
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), C5H6O2(2848);
+- equation: C5H6O2(1774) <=> C5H6O2(1302) # Reaction 374
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [7.28, 3.745, -0.1529, -0.06411]
+ - [-0.8095, 0.1931, 0.1092, 0.03819]
+ - [-0.262, -0.02123, -6.691e-03, 2.38e-03]
+ - [-0.09727, -3.823e-03, -2.698e-03, -1.371e-03]
+ - [-0.03341, 5.881e-03, 3.23e-03, 1.042e-03]
+ - [-0.01141, 2.888e-03, 1.837e-03, 9.217e-04]
+ note: |-
+ Reaction index: Chemkin #374; RMG #26495
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(1302);
+- equation: C5H6O2(1302) <=> C5H6O2(2433) # Reaction 375
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.342, 3.352, -0.2372, -0.02268]
+ - [5.199, 0.6186, 0.1937, -6.588e-03]
+ - [-0.8533, 0.02687, 0.03722, 0.02087]
+ - [-0.288, -0.02105, -4.449e-03, 4.293e-03]
+ - [-0.04917, -0.01797, -7.645e-03, -2.018e-03]
+ - [0.02781, -5.887e-03, -3.407e-03, -1.656e-03]
+ note: |-
+ Reaction index: Chemkin #375; RMG #25533
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), C5H6O2(2433);
+- equation: C5H6O2(4237) <=> C5H6O2(1302) # Reaction 376
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-0.3675, 1.376, -0.3524, 0.0657]
+ - [3.225, 1.455, -0.104, -0.08434]
+ - [-0.2152, 0.3488, 0.167, -1.205e-03]
+ - [-0.4207, -0.04374, 0.06561, 0.01586]
+ - [-0.1962, -0.01993, -5.037e-03, 5.81e-03]
+ - [-0.04794, 0.03547, -0.01078, -2.883e-03]
+ note: |-
+ Reaction index: Chemkin #376; RMG #25943
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(1302);
+- equation: C5H6O2(1302) <=> CHCHO(87) + C#CCO(1295) # Reaction 377
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-9.88, 1.59, -0.2255, -0.07958]
+ - [13.99, 0.4336, 0.2182, 0.0588]
+ - [-0.3007, -0.07502, -0.02251, 6.995e-03]
+ - [-0.1834, -0.02797, -0.01901, -8.265e-03]
+ - [-0.04998, 8.751e-03, 3.08e-03, -7.596e-04]
+ - [-2.89e-03, 6.689e-03, 4.448e-03, 2.025e-03]
+ note: |-
+ Reaction index: Chemkin #377; RMG #25538
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), CHCHO(87); C5H6O2(1302), C#CCO(1295);
+- equation: C5H6O2(1302) <=> OH(7) + C5H5O(1296) # Reaction 378
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-11.77, 1.559, -0.2373, -0.07997]
+ - [13.77, 0.4687, 0.229, 0.05686]
+ - [-0.2599, -0.07608, -0.0196, 9.894e-03]
+ - [-0.1717, -0.03163, -0.02085, -8.381e-03]
+ - [-0.04534, 8.81e-03, 2.585e-03, -1.317e-03]
+ - [-1.302e-03, 7.536e-03, 4.832e-03, 2.011e-03]
+ note: |-
+ Reaction index: Chemkin #378; RMG #25539
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), OH(7); C5H6O2(1302), C5H5O(1296);
+- equation: C5H6O2(1302) <=> H(3) + C5H5O2(1266) # Reaction 379
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-7.759, 0.975, -0.3712, -0.09378]
+ - [9.557, 1.086, 0.2712, 0.03785]
+ - [-0.6157, -0.1282, 0.09941, 0.0327]
+ - [-0.3851, -0.06977, -0.08916, -3.072e-03]
+ - [-0.06568, 8.125e-03, 0.0187, -6.237e-03]
+ - [-0.01547, 0.0301, 0.01075, 3.233e-03]
+ note: |-
+ Reaction index: Chemkin #379; RMG #25541
+ PDep reaction: PDepNetwork #156
+ Flux pairs: C5H6O2(1302), H(3); C5H6O2(1302), C5H5O2(1266);
+- equation: C5H6O2(1774) <=> C5H6O2(4237) # Reaction 380
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [2.26, 1.938, -0.5185, 5.555e-03]
+ - [2.393, 1.415, 0.1855, -0.07166]
+ - [-0.08214, 0.1831, 0.123, 0.01404]
+ - [-0.3821, -0.06274, 0.02287, 0.01883]
+ - [-0.1733, 3.279e-03, -9.165e-03, -7.98e-04]
+ - [-0.03705, 0.04292, -7.846e-04, -6.848e-03]
+ note: |-
+ Reaction index: Chemkin #380; RMG #26511
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(4237);
+- equation: C5H6O2(4237) <=> C5H6O2(2772) # Reaction 381
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-7.102, 1.52, -0.3764, 0.0569]
+ - [4.719, 1.505, -0.0513, -0.08773]
+ - [0.01953, 0.3043, 0.1775, 3.984e-03]
+ - [-0.3971, -0.05314, 0.05376, 0.01801]
+ - [-0.1908, -0.01017, -8.898e-03, 4.452e-03]
+ - [-0.0458, 0.03947, -8.449e-03, -4.596e-03]
+ note: |-
+ Reaction index: Chemkin #381; RMG #25952
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(2772);
+- equation: C5H6O2(4237) <=> C5H6O2(2848) # Reaction 382
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.288, 1.638, -0.4197, 0.044]
+ - [5.049, 1.513, 0.0247, -0.08116]
+ - [-0.1321, 0.2524, 0.1662, 5.533e-03]
+ - [-0.4185, -0.048, 0.0455, 0.02042]
+ - [-0.1835, -3.812e-03, -0.01012, 2.748e-03]
+ - [-0.04041, 0.04013, -6.197e-03, -5.856e-03]
+ note: |-
+ Reaction index: Chemkin #382; RMG #25953
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(2848);
+- equation: C5H6O2(4237) <=> C5H6O2(2433) # Reaction 383
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.659, 1.5, -0.3969, 0.04603]
+ - [4.427, 1.566, -0.01592, -0.0729]
+ - [-0.2416, 0.2763, 0.1628, -2.275e-03]
+ - [-0.5508, -0.04672, 0.05769, 0.01962]
+ - [-0.2227, -0.01099, -9.715e-03, 4.576e-03]
+ - [-0.01948, 0.03957, -8.708e-03, -5.047e-03]
+ note: |-
+ Reaction index: Chemkin #383; RMG #25955
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), C5H6O2(2433);
+- equation: C5H6O2(4237) <=> CHCHO(87) + C#CCO(1295) # Reaction 384
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-10.34, 0.4711, -0.5747, -0.07213]
+ - [9.909, 1.201, 0.371, -3.958e-03]
+ - [-0.42, 0.06071, 0.07447, 0.03755]
+ - [-0.417, -0.06691, -0.01677, 3.665e-04]
+ - [-0.1437, 0.03864, 5.76e-03, -2.801e-03]
+ - [-0.02812, 0.04245, 9.986e-03, -2.587e-03]
+ note: |-
+ Reaction index: Chemkin #384; RMG #25961
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), CHCHO(87); C5H6O2(4237), C#CCO(1295);
+- equation: C5H6O2(4237) <=> OH(7) + C5H5O(1296) # Reaction 385
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-12.29, 0.3959, -0.5771, -0.06056]
+ - [9.76, 1.271, 0.3637, -0.01933]
+ - [-0.3613, 0.06492, 0.08576, 0.04265]
+ - [-0.4185, -0.07249, -0.01919, -4.509e-04]
+ - [-0.1421, 0.03849, 5.473e-03, -2.802e-03]
+ - [-0.02673, 0.04363, 9.993e-03, -2.42e-03]
+ note: |-
+ Reaction index: Chemkin #385; RMG #25962
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), OH(7); C5H6O2(4237), C5H5O(1296);
+- equation: C5H6O2(4237) <=> H(3) + C5H5O2(1266) # Reaction 386
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-8.894, -0.5812, -0.5649, 5.962e-03]
+ - [6.008, 1.955, 0.1603, -0.08074]
+ - [-0.1891, 0.06036, 0.1813, 0.02385]
+ - [-0.661, -0.1405, 6.268e-03, 0.0286]
+ - [-0.2046, 0.01364, -0.03444, -0.01015]
+ - [0.01645, 0.08193, 0.01186, -0.01021]
+ note: |-
+ Reaction index: Chemkin #386; RMG #25964
+ PDep reaction: PDepNetwork #159
+ Flux pairs: C5H6O2(4237), H(3); C5H6O2(4237), C5H5O2(1266);
+- equation: O2(2) + furfuryl(1) <=> H(3) + C5H5O4(1811) # Reaction 387
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-8.464, -0.9808, -0.3623, -0.03856]
+ - [10.19, 0.4369, 0.2185, 0.04223]
+ - [-0.1554, 0.366, 0.05469, -0.0317]
+ - [-0.1864, 0.1433, 0.01825, -9.445e-03]
+ - [-0.1132, 9.784e-03, 0.02232, 9.039e-03]
+ - [-0.04123, -0.03166, 9.364e-03, 7.78e-03]
+ note: |-
+ Reaction index: Chemkin #387; RMG #8422
+ PDep reaction: PDepNetwork #29
+ Flux pairs: furfuryl(1), C5H5O4(1811); O2(2), H(3);
+- equation: C5H6O4(1523) <=> H(3) + C5H5O4(1811) # Reaction 388
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-8.184, 0.751, -0.2525, 0.0378]
+ - [13.84, 0.2371, 0.04105, -0.02208]
+ - [-0.686, 0.3733, -0.0154, -0.02958]
+ - [-0.2906, 0.1561, 0.0179, -0.01054]
+ - [-0.1946, 0.05385, 0.02626, -4.636e-03]
+ - [-0.1278, 0.0117, 0.01537, 1.226e-03]
+ note: |-
+ Reaction index: Chemkin #388; RMG #8448
+ PDep reaction: PDepNetwork #57
+ Flux pairs: C5H6O4(1523), H(3); C5H6O4(1523), C5H5O4(1811);
+- equation: C5H6O4(1707) <=> H(3) + C5H5O4(1811) # Reaction 389
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.43, 0.8235, -0.2531, 0.03197]
+ - [8.37, 0.3003, 0.05309, -0.02493]
+ - [-0.7954, 0.3956, 2.526e-03, -0.03065]
+ - [-0.3967, 0.1607, 0.02824, -9.163e-03]
+ - [-0.1913, 0.04833, 0.02949, -1.859e-03]
+ - [-0.08162, 2.707e-03, 0.01496, 3.428e-03]
+ note: |-
+ Reaction index: Chemkin #389; RMG #8571
+ PDep reaction: PDepNetwork #58
+ Flux pairs: C5H6O4(1707), H(3); C5H6O4(1707), C5H5O4(1811);
+- equation: O2(2) + C5H6O4(1707) <=> HO2(10) + C5H5O4(1811) # Reaction 390
+ rate-constant: {A: 1.889016e+10, b: 0.509, Ea: 0.0}
+ note: |-
+ Reaction index: Chemkin #390; RMG #10133
+ Template reaction: Disproportionation
+ Flux pairs: C5H6O4(1707), C5H5O4(1811); O2(2), HO2(10);
+ Estimated from node Root_Ext-1R!H-R
+ Multiplied by reaction path degeneracy 2.0
+- equation: C5H6O4(1283) <=> H(3) + C5H5O4(1811) # Reaction 391
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [2.499, 0.8802, -0.3415, -6.781e-03]
+ - [0.1181, 0.6403, 0.2061, -3.184e-03]
+ - [-0.2385, 0.2991, 0.01956, -0.02462]
+ - [-0.2628, 0.1138, 0.03674, -1.196e-03]
+ - [-0.1766, 0.02775, 0.03148, 4.826e-03]
+ - [-0.06009, -0.02149, 3.653e-03, 7.029e-03]
+ note: |-
+ Reaction index: Chemkin #391; RMG #10350
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), H(3); C5H6O4(1283), C5H5O4(1811);
+- equation: C5H6O4(1280) <=> H(3) + C5H5O4(1811) # Reaction 392
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.022, 0.424, -0.4487, -5.532e-03]
+ - [2.595, 0.5866, 0.226, 0.01197]
+ - [-0.814, 0.4147, 0.03464, -0.01545]
+ - [-0.3905, 0.1596, 3.648e-03, -0.01362]
+ - [-0.1557, 0.0501, 0.01514, -6.623e-03]
+ - [-0.06142, 7.218e-03, 0.01583, 3.189e-04]
+ note: |-
+ Reaction index: Chemkin #392; RMG #10478
+ PDep reaction: PDepNetwork #102
+ Flux pairs: C5H6O4(1280), H(3); C5H6O4(1280), C5H5O4(1811);
+- equation: C5H6O4(1634) <=> H(3) + C5H5O4(1811) # Reaction 393
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-12.4, 0.295, -0.4563, 4.401e-03]
+ - [10.75, 0.5201, 0.2176, 0.01988]
+ - [-0.5346, 0.4098, 0.03761, -1.231e-03]
+ - [-0.4233, 0.1618, 0.01058, -4.576e-03]
+ - [-0.2635, 0.0577, 0.01446, -6.774e-03]
+ - [-0.1209, 0.01609, 0.01125, -3.53e-03]
+ note: |-
+ Reaction index: Chemkin #393; RMG #10638
+ PDep reaction: PDepNetwork #103
+ Flux pairs: C5H6O4(1634), H(3); C5H6O4(1634), C5H5O4(1811);
+- equation: C5H6O4(1828) <=> H(3) + C5H5O4(1811) # Reaction 394
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-8.919, 0.3853, -0.4383, 5.162e-03]
+ - [7.241, 0.6059, 0.2499, 0.02645]
+ - [-0.6656, 0.4512, 0.05602, -1.627e-03]
+ - [-0.3922, 0.1822, 0.0162, -7.166e-03]
+ - [-0.1715, 0.05985, 0.01489, -8.516e-03]
+ - [-0.06832, 6.916e-03, 8.511e-03, -5.105e-03]
+ note: |-
+ Reaction index: Chemkin #394; RMG #11406
+ PDep reaction: PDepNetwork #105
+ Flux pairs: C5H6O4(1828), H(3); C5H6O4(1828), C5H5O4(1811);
+- equation: C5H6O4(2010) <=> H(3) + C5H5O4(1811) # Reaction 395
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-31.26, -0.157, -0.6786, -0.04025]
+ - [22.04, 0.8372, 0.3544, 0.03177]
+ - [-0.8539, 0.4184, 0.06766, 0.01361]
+ - [-0.4841, 0.1351, 1.884e-03, -2.567e-03]
+ - [-0.2144, 0.03664, 5.284e-03, -6.92e-03]
+ - [-0.08386, 4.584e-03, 7.044e-03, -3.914e-03]
+ note: |-
+ Reaction index: Chemkin #395; RMG #12230
+ PDep reaction: PDepNetwork #110
+ Flux pairs: C5H6O4(2010), H(3); C5H6O4(2010), C5H5O4(1811);
+- equation: C5H6O4(2096) <=> H(3) + C5H5O4(1811) # Reaction 396
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-39.76, -0.2216, -0.6934, -0.04163]
+ - [29.57, 0.7803, 0.333, 0.02583]
+ - [-0.612, 0.3959, 0.05817, 0.01319]
+ - [-0.3283, 0.1232, -8.602e-04, -1.166e-03]
+ - [-0.1836, 0.03254, 3.863e-03, -6.317e-03]
+ - [-0.1129, 5.385e-03, 6.469e-03, -3.524e-03]
+ note: |-
+ Reaction index: Chemkin #396; RMG #12477
+ PDep reaction: PDepNetwork #111
+ Flux pairs: C5H6O4(2096), H(3); C5H6O4(2096), C5H5O4(1811);
+- equation: C5H6O4(1802) <=> H(3) + C5H5O4(1811) # Reaction 397
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-36.07, 1.972, -0.01833, -9.299e-03]
+ - [32.81, -0.02158, -0.01399, -6.955e-03]
+ - [-1.456, 0.01936, 0.01304, 6.777e-03]
+ - [-0.3358, 0.0114, 7.559e-03, 3.844e-03]
+ - [0.07379, -6.356e-03, -4.226e-03, -2.134e-03]
+ - [0.02308, -7.488e-04, -5.466e-04, -2.869e-04]
+ note: |-
+ Reaction index: Chemkin #397; RMG #12923
+ PDep reaction: PDepNetwork #112
+ Flux pairs: C5H6O4(1802), H(3); C5H6O4(1802), C5H5O4(1811);
+- equation: HO2(10) + C5H5O4(1811) <=> O2(2) + C5H6O4(1802) # Reaction 398
+ rate-constant: {A: 1.4e+11, b: 0.0, Ea: 0.0}
+ note: |-
+ Reaction index: Chemkin #398; RMG #17739
+ Template reaction: H_Abstraction
+ Flux pairs: HO2(10), O2(2); C5H5O4(1811), C5H6O4(1802);
+ From training reaction 200 used for Orad_O_H;O_rad/NonDeC
+ Exact match found for rate rule [Orad_O_H;O_rad/NonDeC]
+ Euclidian distance = 0
+ family: H_Abstraction
+- equation: C5H6O4(2687) <=> H(3) + C5H5O4(1811) # Reaction 399
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-18.17, 1.979, -0.01417, -7.429e-03]
+ - [17.27, -6.476e-03, -4.132e-03, -2.047e-03]
+ - [-1.329, 0.01856, 0.0124, 6.391e-03]
+ - [-0.351, 8.513e-03, 5.623e-03, 2.888e-03]
+ - [0.01165, -6.811e-03, -4.537e-03, -2.266e-03]
+ - [-0.0175, -1.657e-03, -1.12e-03, -5.428e-04]
+ note: |-
+ Reaction index: Chemkin #399; RMG #20767
+ PDep reaction: PDepNetwork #150
+ Flux pairs: C5H6O4(2687), H(3); C5H6O4(2687), C5H5O4(1811);
+- equation: C5H6O4(2682) <=> H(3) + C5H5O4(1811) # Reaction 400
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-27.57, 1.97, -0.01997, -0.01044]
+ - [25.92, -8.971e-03, -5.568e-03, -2.571e-03]
+ - [-1.224, 0.01855, 0.01239, 6.357e-03]
+ - [-0.2915, 0.01021, 6.737e-03, 3.415e-03]
+ - [-0.03005, -6.23e-03, -4.133e-03, -2.058e-03]
+ - [-0.08514, -1.012e-03, -6.969e-04, -3.317e-04]
+ note: |-
+ Reaction index: Chemkin #400; RMG #24096
+ PDep reaction: PDepNetwork #154
+ Flux pairs: C5H6O4(2682), H(3); C5H6O4(2682), C5H5O4(1811);
+- equation: C5H6O2(1774) <=> C5H6O2(2772) # Reaction 401
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [0.7581, 3.759, -0.1453, -0.06157]
+ - [0.4628, 0.194, 0.1101, 0.03921]
+ - [0.133, -0.0256, -9.73e-03, 9.436e-04]
+ - [-0.01693, -6.027e-03, -4.258e-03, -2.203e-03]
+ - [-0.02976, 4.274e-03, 2.327e-03, 7.161e-04]
+ - [-0.01619, 1.511e-03, 1.073e-03, 6.463e-04]
+ note: |-
+ Reaction index: Chemkin #401; RMG #26502
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(2772);
+- equation: C5H6O2(1774) <=> C5H6O2(2848) # Reaction 402
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [2.754, 3.763, -0.1442, -0.06242]
+ - [0.5719, 0.1985, 0.1143, 0.04258]
+ - [0.1398, -0.03058, -0.01319, -8.291e-04]
+ - [-0.02821, -6.131e-03, -4.455e-03, -2.431e-03]
+ - [-0.03351, 3.275e-03, 1.791e-03, 5.365e-04]
+ - [-0.01573, 4.858e-04, 4.585e-04, 3.86e-04]
+ note: |-
+ Reaction index: Chemkin #402; RMG #26503
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(2848);
+- equation: C5H6O2(1774) <=> C5H6O2(2433) # Reaction 403
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [5.225, 3.75, -0.1513, -0.06493]
+ - [0.146, 0.2049, 0.1176, 0.04327]
+ - [-0.1022, -0.02641, -0.01031, 6.176e-04]
+ - [-0.1699, -6.055e-03, -4.277e-03, -2.207e-03]
+ - [-0.0605, 3.446e-03, 1.79e-03, 4.514e-04]
+ - [9.318e-03, 1.002e-03, 7.427e-04, 4.81e-04]
+ note: |-
+ Reaction index: Chemkin #403; RMG #26504
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), C5H6O2(2433);
+- equation: C5H6O2(1774) <=> CHCHO(87) + C#CCO(1295) # Reaction 404
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-0.1378, 1.716, -0.1466, -0.04322]
+ - [4.508, 0.3211, 0.1491, 0.02818]
+ - [0.2878, -0.06829, -0.02042, 6.165e-03]
+ - [0.0242, -0.03216, -0.02222, -0.01021]
+ - [0.01301, 4.432e-03, 1.333e-04, -2.408e-03]
+ - [7.297e-03, 5.011e-03, 3.411e-03, 1.547e-03]
+ note: |-
+ Reaction index: Chemkin #404; RMG #26512
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), CHCHO(87); C5H6O2(1774), C#CCO(1295);
+- equation: C5H6O2(1774) <=> OH(7) + C5H5O(1296) # Reaction 405
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-2.039, 1.693, -0.1543, -0.04231]
+ - [4.295, 0.3484, 0.1559, 0.0252]
+ - [0.3344, -0.06889, -0.01749, 8.858e-03]
+ - [0.03925, -0.03591, -0.02409, -0.01028]
+ - [0.01916, 4.105e-03, -6.09e-04, -3.105e-03]
+ - [9.37e-03, 5.771e-03, 3.767e-03, 1.531e-03]
+ note: |-
+ Reaction index: Chemkin #405; RMG #26513
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), OH(7); C5H6O2(1774), C5H5O(1296);
+- equation: C5H6O2(1774) <=> H(3) + C5H5O2(1266) # Reaction 406
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [1.672, 1.211, -0.3258, -0.05013]
+ - [0.09189, 0.8978, 0.324, 0.01366]
+ - [-0.1777, -0.09668, 3.152e-03, 0.02757]
+ - [-0.1358, -0.08916, -0.04062, -4.698e-03]
+ - [-0.01573, 0.01093, -4.016e-03, -7.346e-03]
+ - [0.01332, 0.01784, 8.015e-03, 7.189e-04]
+ note: |-
+ Reaction index: Chemkin #406; RMG #26515
+ PDep reaction: PDepNetwork #174
+ Flux pairs: C5H6O2(1774), H(3); C5H6O2(1774), C5H5O2(1266);
+- equation: C5H5O4(1811) <=> C5H5O4(4630) # Reaction 407
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [8.788, 1.298, -0.2734, -0.02535]
+ - [0.5861, 0.4548, 0.06157, -0.02333]
+ - [-0.3155, 0.129, 0.03729, 0.0136]
+ - [-0.2236, 0.07793, 0.0171, 0.01053]
+ - [-0.1362, 0.03515, 6.733e-03, 7.456e-03]
+ - [-0.06808, 8.29e-03, -9.993e-04, 4.312e-03]
+ note: |-
+ Reaction index: Chemkin #407; RMG #27206
+ PDep reaction: PDepNetwork #175
+ Flux pairs: C5H5O4(1811), C5H5O4(4630);
+- equation: O2(2) + furfuryl(1) <=> C5H6O4(2115) # Reaction 408
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-6.245, 0.7382, -0.614, -0.1499]
+ - [8.521, 0.7452, 0.3122, 0.0362]
+ - [-0.5861, 0.07038, 0.06253, 0.03521]
+ - [-0.1984, -0.05632, -0.014, 8.943e-03]
+ - [-0.07504, -0.03275, -0.01174, 1.288e-03]
+ - [-0.04353, -7.068e-03, -2.374e-03, 3.3e-04]
+ note: |-
+ Reaction index: Chemkin #408; RMG #9429
+ PDep reaction: PDepNetwork #29
+ Flux pairs: O2(2), C5H6O4(2115); furfuryl(1), C5H6O4(2115);
+- equation: C5H6O4(1523) <=> C5H6O4(2115) # Reaction 409
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-10.51, 0.1995, -0.9566, -0.08448]
+ - [11.06, 1.068, 0.1422, -0.0238]
+ - [-0.348, 0.207, 0.0501, 0.03584]
+ - [-0.1734, -3.294e-03, -1.641e-03, 0.02179]
+ - [-0.1523, -0.02696, -7.186e-03, 7.121e-03]
+ - [-0.1237, -6.86e-03, -2.906e-04, 1.145e-03]
+ note: |-
+ Reaction index: Chemkin #409; RMG #11053
+ PDep reaction: PDepNetwork #57
+ Flux pairs: C5H6O4(1523), C5H6O4(2115);
+- equation: C5H6O4(1707) <=> C5H6O4(2115) # Reaction 410
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-5.329, 0.3196, -0.9354, -0.08432]
+ - [5.593, 1.166, 0.1703, -0.01602]
+ - [-0.5063, 0.2284, 0.05835, 0.03882]
+ - [-0.31, -1.043e-03, -2.18e-03, 0.01997]
+ - [-0.1593, -0.02464, -8.82e-03, 4.358e-03]
+ - [-0.08045, -4.088e-03, -7.214e-04, -3.44e-04]
+ note: |-
+ Reaction index: Chemkin #410; RMG #11103
+ PDep reaction: PDepNetwork #58
+ Flux pairs: C5H6O4(1707), C5H6O4(2115);
+- equation: C5H6O4(1283) <=> C5H6O4(2115) # Reaction 411
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-3.157, 0.916, -1.059, -0.1108]
+ - [-1.051, 1.136, 0.513, 0.04786]
+ - [-0.6675, 0.3702, 0.03456, 0.01612]
+ - [-0.2143, 0.01845, -0.04234, 8.739e-03]
+ - [-0.08896, -0.02889, -5.183e-03, -2.769e-03]
+ - [-0.06095, -2.711e-03, 5.681e-03, -3.969e-03]
+ note: |-
+ Reaction index: Chemkin #411; RMG #11153
+ PDep reaction: PDepNetwork #101
+ Flux pairs: C5H6O4(1283), C5H6O4(2115);
+- equation: C5H6O4(1280) <=> C5H6O4(2115) # Reaction 412
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [6.669, 2.039, -0.8282, -0.1225]
+ - [-1.186, 0.9274, 0.2681, -0.04629]
+ - [-0.7081, 0.1183, 0.09579, 0.03778]
+ - [-0.3256, -0.04693, 8.759e-03, 0.02568]
+ - [-0.1453, -0.04301, -7.508e-03, 9.28e-03]
+ - [-0.07515, -0.01131, -1.777e-03, 2.18e-03]
+ note: |-
+ Reaction index: Chemkin #412; RMG #11203
+ PDep reaction: PDepNetwork #102
+ Flux pairs: C5H6O4(1280), C5H6O4(2115);
+- equation: C5H6O4(1634) <=> C5H6O4(2115) # Reaction 413
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [5.625, 1.746, -0.7054, -0.04491]
+ - [2.142, 1.104, 0.1844, -0.04828]
+ - [-0.707, 0.1312, 0.07654, 0.01355]
+ - [-0.2616, -0.01978, 0.01958, 0.01677]
+ - [-0.1515, -0.02688, 3.642e-03, 9.81e-03]
+ - [-0.09653, -8.655e-03, 1.442e-03, 3.115e-03]
+ note: |-
+ Reaction index: Chemkin #413; RMG #11253
+ PDep reaction: PDepNetwork #103
+ Flux pairs: C5H6O4(1634), C5H6O4(2115);
+- equation: C5H6O4(1828) <=> C5H6O4(2115) # Reaction 414
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [7.699, 2.098, -0.6727, -0.05926]
+ - [-0.6514, 1.044, 0.2245, -0.0464]
+ - [-0.6343, 0.07404, 0.07416, 0.01661]
+ - [-0.2236, -0.03397, 0.01376, 0.01925]
+ - [-0.09462, -0.02966, -7.196e-04, 0.01042]
+ - [-0.06294, -8.751e-03, -8.7e-04, 2.81e-03]
+ note: |-
+ Reaction index: Chemkin #414; RMG #11441
+ PDep reaction: PDepNetwork #105
+ Flux pairs: C5H6O4(1828), C5H6O4(2115);
+- equation: C5H6O4(2010) <=> C5H6O4(2115) # Reaction 415
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [7.758, 0.7291, -0.2258, 0.02521]
+ - [0.9593, 1.005, -0.2816, -6.736e-03]
+ - [-0.4301, 0.397, -0.03209, -0.0246]
+ - [-0.2741, 0.06189, 0.03533, -0.01404]
+ - [-0.06483, -1.238e-03, 0.02691, 1.921e-03]
+ - [-5.661e-03, 2.752e-03, 7.807e-03, 3.356e-03]
+ note: |-
+ Reaction index: Chemkin #415; RMG #12017
+ PDep reaction: PDepNetwork #110
+ Flux pairs: C5H6O4(2010), C5H6O4(2115);
+- equation: C5H6O4(2096) <=> C5H6O4(2115) # Reaction 416
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [2.677, 0.4279, -0.1415, 0.01327]
+ - [6.515, 0.6861, -0.2079, 9.296e-03]
+ - [-0.5096, 0.3625, -0.07892, -0.01081]
+ - [-0.2049, 0.1263, -3.186e-03, -0.01145]
+ - [-0.06417, 0.03171, 0.01224, -3.327e-03]
+ - [-0.02858, 0.01269, 6.213e-03, 9.88e-04]
+ note: |-
+ Reaction index: Chemkin #416; RMG #12307
+ PDep reaction: PDepNetwork #111
+ Flux pairs: C5H6O4(2096), C5H6O4(2115);
+- equation: C5H6O4(1802) <=> C5H6O4(2115) # Reaction 417
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-44.69, 0.07638, -0.9973, -0.09465]
+ - [33.6, 1.003, 0.1033, -0.04006]
+ - [-0.901, 0.1859, 0.05187, 0.04019]
+ - [-0.1469, -0.04462, -8.246e-03, 0.02358]
+ - [0.0866, -0.05122, -0.0184, 3.391e-03]
+ - [-3.56e-03, 1.692e-03, 1.616e-03, 1.479e-03]
+ note: |-
+ Reaction index: Chemkin #417; RMG #13480
+ PDep reaction: PDepNetwork #112
+ Flux pairs: C5H6O4(1802), C5H6O4(2115);
+- equation: C5H6O4(2687) <=> C5H6O4(2115) # Reaction 418
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-27.08, 0.2078, -0.9688, -0.0918]
+ - [17.83, 1.146, 0.1467, -0.02749]
+ - [-0.9704, 0.2247, 0.06197, 0.04254]
+ - [-0.2777, -0.03939, -7.899e-03, 0.02197]
+ - [-0.02266, -0.04682, -0.01845, 1.534e-03]
+ - [-0.06179, 5.486e-03, 7.429e-04, -1.713e-04]
+ note: |-
+ Reaction index: Chemkin #418; RMG #20945
+ PDep reaction: PDepNetwork #150
+ Flux pairs: C5H6O4(2687), C5H6O4(2115);
+- equation: C5H6O4(2682) <=> C5H6O4(2115) # Reaction 419
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [-36.31, 0.1225, -0.9901, -0.09585]
+ - [26.63, 1.069, 0.1257, -0.03243]
+ - [-0.7407, 0.2019, 0.05498, 0.04054]
+ - [-0.1455, -0.04216, -8.338e-03, 0.0229]
+ - [-0.03528, -0.0492, -0.01818, 2.894e-03]
+ - [-0.1187, 3.146e-03, 1.367e-03, 9.144e-04]
+ note: |-
+ Reaction index: Chemkin #419; RMG #24273
+ PDep reaction: PDepNetwork #154
+ Flux pairs: C5H6O4(2682), C5H6O4(2115);
+- equation: H(3) + CHCHO(87) <=> H(3) + CH2CO(47) # Reaction 420
+ rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0}
+ note: |-
+ Reaction index: Chemkin #420; RMG #3372
+ Library reaction: NOx2018
+ Flux pairs: CHCHO(87), CH2CO(47); H(3), H(3);
+- equation: CHCHO(87) <=> CH2CO(47) # Reaction 421
+ type: Chebyshev
+ temperature-range: [300.0, 2000.0]
+ pressure-range: [0.01 atm, 98.692 atm]
+ data:
+ - [8.118, 1.858, -0.08457, -0.03491]
+ - [1.258, 0.1087, 0.06135, 0.02181]
+ - [-0.09978, 1.63e-03, 2.142e-03, 1.903e-03]
+ - [-0.05334, 3.588e-03, 1.71e-03, 3.205e-04]
+ - [-0.05425, 4.846e-03, 2.614e-03, 8.155e-04]
+ - [-0.04614, 3.035e-03, 1.785e-03, 7.109e-04]
+ note: |-
+ Reaction index: Chemkin #421; RMG #25491
+ PDep reaction: PDepNetwork #157
+ Flux pairs: CHCHO(87), CH2CO(47);