initial import

Cantera/src/PureFluidPhase.cpp

@@ -0,0 +1,51 @@
+
+//#include "ct_defs.h"
+#include "xml.h"
+#include "PureFluidPhase.h"
+
+namespace Cantera {
+
+    void PureFluid::
+    initThermo() {
+        if (m_sub) delete m_sub;
+        m_sub = tpx::GetSub(m_subflag);
+        if (m_sub == 0) {
+            throw CanteraError("PureFluid::initThermo",
+                "could not create new substance object.");
+        }
+        m_mw = m_sub->MolWt();
+        m_weight[0] = m_mw;
+        setMolecularWeight(0,m_mw);
+        double one = 1.0;
+        setMoleFractions(&one);
+        double cp0_R, h0_RT, s0_R, T0, p;
+        T0 = 298.15;
+        if (T0 < m_sub->Tcrit()) {
+            m_sub->Set(tpx::TX, T0, 1.0);
+            p = 0.01*m_sub->P();
+        }
+        else {
+            p = 0.001*m_sub->Pcrit();
+        }
+        m_sub->Set(tpx::TP, T0, p);
+        
+        m_spthermo->update_one(0, T0, &cp0_R, &h0_RT, &s0_R);
+        double s_R = s0_R - log(p/refPressure());
+        m_sub->setStdState(h0_RT*GasConstant*298.15/m_mw,
+            s_R*GasConstant/m_mw, T0, p);
+        if (m_verbose) {
+            writelog("PureFluid::initThermo: initialized phase "
+                +id()+"\n");
+        }
+    }
+
+    void PureFluid::
+    setParametersFromXML(const XML_Node& eosdata) {
+        eosdata.require("model","PureFluid");
+        m_subflag = atoi(eosdata["fluid_type"].c_str());
+        if (m_subflag < 0) 
+            throw CanteraError("PureFluid::setParametersFromXML",
+                "missing or negative substance flag");
+    }
+
+}