SulfLiq.h

/* SulfLiq header file
 * $Id: SulfLiq.h,v 1.24 2007/11/21 01:48:30 kress Exp $
 * by Victor Kress
 */

#ifndef SULFLIQ_H
#define SULFLIQ_H


#include "Phase.h"
#include "SpecSolNID.h"
#include "VinetEOS.h"

struct SLSSData {
  char *name;
  char *formula;
  double mw;
  double g0;
  double s;
  double cp;
  double ge1300;
  double v1300;
  double dvdt;
  double dvdp;
  double d2vdpdt;
};

class SLSSPhase: public Phase {
 public:
  SLSSPhase(SLSSData *ldat);
  virtual double getGibbs();  
  virtual double getEnthalpy();
  virtual double getEntropy();
  virtual double getCp();
  virtual double getdCpdT();
  virtual double getVolume();
  virtual double getdVdT();
  virtual double getd2VdT2();
  virtual double getdVdP();
  virtual double getd2VdTdP();
  virtual double getd2VdP2();
  SLSSData *dat;
  const double STR;
 protected:
  VinetEOS Vinet;
  virtual void update();
};

class SulfLiq: public SpecSolNID {
 public:
  // public variables ////////////////////////////////
  const int NCOMP;
  const int NSPEC;
  const int ODEX;
  const int SDEX;
  const int FDEX;
  const int NDEX;
  const int CDEX;
  const int WUDEX;
  const int HMDEX;
  const int BUDEX;
  const int TTDEX;
  const int MIDEX;
  const int DJDEX;
  const int OPDEX;
  const int NSDEX;
  const int CVDEX;
  const int TEDEX;
  const double STR;
  // creation/distruction ////////////////////////////////
  SulfLiq();
  virtual ~SulfLiq();
  
  // setting methods ////////////////////////////////////
  virtual void setTk(double ltk);
  virtual void setPa(double lpq);
  virtual int setFugacity(double logfo2,double logfs2,int verbose);
  virtual int setFugacity(double logfo2,double logfs2);
  virtual int setlogfo2(double logfo2);
  virtual int setlogfs2(double logfs2);
  
  // getting methods ///////////////////////////////////
  double getVolume();
  double getdVdT();
  double getlogfo2();
  double getlogfs2();
  
 protected:
  virtual void init();
  Phase *po2;
  Phase *ps2;
  static double allstoich[15][5];
};
  
#endif