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ShomatePhase.h

00001 /* ShomatePhase header file
00002  * generic data class for calculating thermodynamic data from Shomate equations
00003  * Victor Kress
00004  */
00005 #ifndef SHOMATEPHASE_H
00006 #define SHOMATEPHASE_H
00007 
00008 #include "Phase.h"
00009 
00017 struct ShomateData{
00019   char *name;
00021   char *formula;
00023   double mw;
00025   double A;
00027   double B;
00029   double C;
00031   double D;
00033   double E;
00035   double F;
00037   double G;
00039   double Hf;
00040 };
00041 
00049 class ShomatePhase: public Phase {
00050  public:
00052   ShomatePhase();
00054   ShomatePhase(ShomateData *sd);
00056   virtual ~ShomatePhase();
00057 
00059   virtual void setTk(double ltk);  // Overrides Phase
00061   void setData(ShomateData *sd);    // set data
00062 
00064   virtual double getGibbs();
00066   virtual double getEnthalpy();
00068   virtual double getEntropy();
00070   virtual double getCp();
00072   virtual double getdCpdT();
00073  protected:
00075   double t;                        // tk/1000
00077   ShomateData *dat;
00079   virtual void init(void);
00080 };
00081 
00082 #endif
00083 
00084 
00085 

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