Gems3k  3.1
GEMS3K standalone solver for geochemical equilibria
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TCGFcalc Class Reference

Churakov and Gottschalk (2003) EOS calculations. More...

#include <s_solmod.h>

Inheritance diagram for TCGFcalc:
TSolMod

List of all members.

Public Member Functions

 TCGFcalc (long int NCmp, double Pp, double Tkp)
 Constructor.
 TCGFcalc (SolutionData *sd, double *aphWGT, double *arX)
 ~TCGFcalc ()
 Destructor.
long int PureSpecies ()
 Calculates of pure species properties (pure fugacities)
long int PTparam ()
 Calculates T,P corrected interaction parameters.
long int MixMod ()
 Calculates activity coefficients.
long int ExcessProp (double *Zex)
 Calculates excess properties.
long int IdealProp (double *Zid)
 calculates ideal mixing properties
long int CGcalcFugPure (double Tmin, float *Cemp, double *FugProps)
 CGofPureGases, calculates fugacity for 1 species at (X=1)
long int CGFugacityPT (double *EoSparam, double *EoSparPT, double &Fugacity, double &Volume, double P, double T, double &roro)
 high-level method to retrieve pure fluid properties
long int CGResidualFunct (double *X, double *param, double *param1, unsigned long int NN, double ro, double T)
 Calculates departure functions.
double GetDELTA (void)

Detailed Description

Churakov and Gottschalk (2003) EOS calculations.

Added 09 May 2003 Declaration of a class for CG EOS calculations for fluids Incorporates a C++ program written by Sergey Churakov (CSCS ETHZ) implementing papers by Churakov and Gottschalk (2003a, 2003b)


Constructor & Destructor Documentation

TCGFcalc::TCGFcalc ( long int  NCmp,
double  Pp,
double  Tkp 
)

Constructor.

Generic constructor.


Member Function Documentation

long int TCGFcalc::CGResidualFunct ( double *  X,
double *  param,
double *  param1,
unsigned long int  NN,
double  ro,
double  T 
)

Calculates departure functions.

calculate residual functions through numerical derivative

long int TCGFcalc::ExcessProp ( double *  Zex) [virtual]

Calculates excess properties.

high-level method to calculate residual functions

calculates ideal mixing properties

Reimplemented from TSolMod.

long int TCGFcalc::MixMod ( ) [virtual]

Calculates activity coefficients.

high-level method to retrieve activity coefficients in the fluid mixture

Reimplemented from TSolMod.

long int TCGFcalc::PTparam ( ) [virtual]

Calculates T,P corrected interaction parameters.

calculates T,P corrected binary interaction parameters

Reimplemented from TSolMod.

long int TCGFcalc::PureSpecies ( ) [virtual]

Calculates of pure species properties (pure fugacities)

high-level method to retrieve pure fluid fugacities

Reimplemented from TSolMod.


The documentation for this class was generated from the following files: