add span wagner EOS

src/main/java/neqsim/thermo/util/spanwagner/NeqSimSpanWagner.java

@@ -0,0 +1,98 @@
+// File: src/main/java/neqsim/thermo/util/spanwagner/NeqSimSpanWagner.java
+package neqsim.thermo.util.spanwagner;
+
+import neqsim.thermo.phase.PhaseInterface;
+import neqsim.thermo.system.SystemInterface;
+import neqsim.thermo.system.SystemSrkEos;
+import neqsim.thermodynamicoperations.ThermodynamicOperations;
+import neqsim.util.ExcludeFromJacocoGeneratedReport;
+
+public class NeqSimSpanWagner {
+  private PhaseInterface phase = null;
+  private SpanWagner spanWagner = new SpanWagner();
+  private boolean isInitialized = false;
+
+  public NeqSimSpanWagner(PhaseInterface phase) {
+    this.setPhase(phase);
+    if (!isInitialized) {
+      spanWagner.setup();
+      isInitialized = true;
+    }
+  }
+
+  public void setPhase(PhaseInterface phase) {
+    if (phase.getNumberOfComponents() != 1
+        || !("co2".equalsIgnoreCase(phase.getComponent(0).getComponentName())
+            || "carbondioxide".equalsIgnoreCase(phase.getComponent(0).getComponentName()))) {
+      throw new IllegalArgumentException("Span-Wagner model requires pure CO2.");
+    }
+    this.phase = phase;
+  }
+
+  public double getMolarDensity() {
+    int[] ierr = {0};
+    String[] herr = {""};
+    double[] D = {0.0};
+    spanWagner.density(0, phase.getTemperature(), phase.getPressure() * 100.0, D, ierr, herr);
+    if (ierr[0] != 0) {
+      System.err.println("NeqSimSpanWagner Warning: " + herr[0]);
+    }
+    return D[0];
+  }
+
+  public double getDensity() {
+    return getMolarDensity() * spanWagner.M;
+  }
+
+  public double[] getAllProperties() {
+    double[] p = new double[1], z = new double[1], dpdd = new double[1], d2pdd2 = new double[1],
+        d2pdtd = new double[1], dpdt = new double[1], u = new double[1], h = new double[1],
+        s = new double[1], cv = new double[1], cp = new double[1], w = new double[1],
+        g = new double[1], jt = new double[1], kappa = new double[1], A = new double[1];
+
+    spanWagner.properties(phase.getTemperature(), getMolarDensity(), p, z, dpdd, d2pdd2, d2pdtd,
+        dpdt, u, h, s, cv, cp, w, g, jt, kappa, A);
+
+    return new double[] {p[0], z[0], dpdd[0], d2pdd2[0], d2pdtd[0], dpdt[0], u[0], h[0], s[0],
+        cv[0], cp[0], w[0], g[0], jt[0], kappa[0]};
+  }
+
+  @ExcludeFromJacocoGeneratedReport
+  public static void main(String[] args) {
+    SystemInterface fluid1 = new SystemSrkEos();
+    fluid1.addComponent("CO2", 1.0);
+    fluid1.setTemperature(310.0);
+    fluid1.setPressure(80.0);
+    fluid1.init(0);
+    ThermodynamicOperations ops = new ThermodynamicOperations(fluid1);
+    ops.TPflash();
+
+    NeqSimSpanWagner test = new NeqSimSpanWagner(fluid1.getPhase(0));
+
+    System.out.println("--- Testing Span-Wagner EOS for CO2 ---");
+    System.out.println("Input T: " + fluid1.getTemperature() + " K");
+    System.out.println("Input P: " + fluid1.getPressure() + " bar (8 MPa)");
+
+    double density = test.getDensity();
+    System.out.printf("Calculated Density [kg/m^3]:        %.4f%n", density);
+    System.out.println("  (NIST Reference @ 310K, 8MPa is ~327.71 kg/m^3)");
+
+    if (Math.abs(density - 327.71) > 1.0) {
+      System.out.println("\n*** WARNING: Calculation deviates significantly from reference! ***");
+    } else {
+      System.out.println(
+          "\n*** Calculation result is close to reference. Implementation is correct. ***");
+    }
+
+    System.out.println("\n--- All Thermodynamic Properties ---");
+    double[] properties = test.getAllProperties();
+    System.out.printf("Pressure [kPa]:                     %.4f%n", properties[0]);
+    System.out.printf("Compressibility factor (Z):         %.4f%n", properties[1]);
+    System.out.printf("Enthalpy [J/mol]:                   %.4f%n", properties[7]);
+    System.out.printf("Entropy [J/mol-K]:                  %.4f%n", properties[8]);
+    System.out.printf("Isochoric heat capacity (Cv) [J/mol-K]:  %.4f%n", properties[9]);
+    System.out.printf("Isobaric heat capacity (Cp) [J/mol-K]:   %.4f%n", properties[10]);
+    System.out.printf("Speed of sound [m/s]:               %.4f%n", properties[11]);
+    System.out.printf("Joule-Thomson coefficient [K/kPa]:  %.4f%n", properties[13]);
+  }
+}