Add combustion gasses dynamically

src/tespy/components/combustion/base.py

@@ -238,7 +238,7 @@ def setup_reaction_parameters(self):
         self.fuel_list = []
         all_fluids = set([f for c in self.inl + self.outl for f in c.fluid.val])
         for f in all_fluids:
-            if fluidalias_in_list(f, combustion_gases):
+            if fluidalias_in_list(f, combustion_gases.fluids.keys()):
                 self.fuel_list += [f]
 
         self.fuel_list = set(self.fuel_list)
@@ -248,7 +248,7 @@ def setup_reaction_parameters(self):
                 "Your network's fluids do not contain any fuels, that are "
                 f"available for the component {self.label} of type "
                 f"{self.__class__.__name__}. Available fuels are: "
-                f"{', '.join(combustion_gases)}."
+                f"{', '.join(combustion_gases.fluids.keys())}."
             )
             logger.error(msg)
             raise TESPyComponentError(msg)
@@ -283,8 +283,16 @@ def setup_reaction_parameters(self):
                     self.fuels[f][el] = structure[el]
                 else:
                     self.fuels[f][el] = 0
-            self.fuels[f]['LHV'] = self.calc_lhv(f)
-
+            if f not in combustion_gases.fluids.keys():
+                self.fuels[f]['LHV'] = self.calc_lhv(f)
+                continue
+
+            if combustion_gases.fluids[f]['LHV'] is None:
+                self.fuels[f]['LHV'] = self.calc_lhv(f)
+                continue
+
+            self.fuels[f]['LHV'] = combustion_gases.fluids[f]['LHV']
+
     def calc_lhv(self, f):
         r"""
         Calculate the lower heating value of the combustion chamber's fuel.
@@ -313,19 +321,13 @@ def calc_lhv(self, f):
         """
         inl, _ = self._get_combustion_connections()
         hf = {}
-        hf['hydrogen'] = 0
-        hf['methane'] = -74.6
-        hf['ethane'] = -84.0
-        hf['propane'] = -103.8
-        hf['butane'] = -125.7
-        hf['nDodecane'] = -289.4
-        hf['CO'] = -110.5
+
         hf[self.o2] = 0
         hf[self.co2] = -393.51
         # water (gaseous)
         hf[self.h2o] = -241.826
 
-        key = set(list(hf.keys())).intersection(FLUID_ALIASES.get_fluid(f))
+        key = set(list(combustion_gases.fluids.keys())).intersection(FLUID_ALIASES.get_fluid(f))
 
         val = (
             -(
@@ -335,7 +337,7 @@ def calc_lhv(self, f):
                     (
                         self.fuels[f]['C'] + self.fuels[f]['H'] / 4
                         - self.fuels[f]['O'] / 2
-                    ) * hf[self.o2] + hf[list(key)[0]]
+                    ) * hf[self.o2] + combustion_gases.fluids[list(key)[0]]['hf']
                 )
             ) / inl[0].fluid.wrapper[f]._molar_mass * 1000
         )

src/tespy/networks/network.py

@@ -44,6 +44,7 @@
 from tespy.tools.global_vars import fluid_property_data as fpd
 from tespy.tools.units import SI_UNITS
 from tespy.tools.units import Units
+from tespy.tools.global_vars import combustion_gases
 
 # Only require cupy if Cuda shall be used
 try:
@@ -179,6 +180,7 @@ def set_defaults(self):
         self.design_path = None
         self.iterinfo = True
         self.units = Units()
+        self.combustion_gases = combustion_gases
 
         msg = 'Default unit specifications:\n'
         for prop, unit in self.units.default.items():

src/tespy/tools/__init__.py

@@ -15,3 +15,4 @@
 from .helpers import UserDefinedEquation  # noqa: F401
 from .optimization import OptimizationProblem  # noqa: F401
 from .units import Units  # noqa: F401
+from .global_vars import combustion_gases

src/tespy/tools/global_vars.py

@@ -103,8 +103,49 @@ def get_fluid(self, fluid):
 
 FLUID_ALIASES = FluidAliases()
 
+class COMBUSTION_GASES:
+    def __init__(self):
+        self.fluids={
+            'hydrogen': {'hf':0,
+                         'LHV':None
+            },
+            'methane': {'hf':-74.6,
+                         'LHV':None
+            },
+            'ethane': {'hf':-84.0,
+                         'LHV':None
+            }, 
+            'propane':{'hf':-103.8,
+                         'LHV':None
+            }, 
+            'butane':{'hf':-125.7,
+                         'LHV':None
+            }, 
+            'nDodecane':{'hf':-289.4,
+                         'LHV':None
+            }, 
+
+            'Dichloroethane':{'hf':-1.2979E+02,
+                         'LHV':None
+            }, 
+            'CO':{'hf': -110.5,
+                         'LHV':None
+            },
+        }
+    def add_fluid(self, fluid, hf= None, LHV=None):
+        """Add a new fluid to the possible combustion gases.
+
+        Parameters
+        ----------
+        fluid : str
+            name of the fluid. Must be a valid fluid within the fluid property backend.
+        hf: float
+            specific enthalpy of formation at standard conditions in kJ/mol
+        LHV: float
+            lower heating value of the fuel in J/mol
+        """
+        self.fluids[fluid] = {'hf':hf,
+                              'LHV':LHV
+        }
 
-combustion_gases = [
-    'methane', 'ethane', 'propane', 'butane', 'hydrogen', 'nDodecane',
-    'CO'
-]
+combustion_gases = COMBUSTION_GASES()