Gems3k
3.1
GEMS3K standalone solver for geochemical equilibria
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Churakov and Gottschalk (2003) EOS calculations. More...
#include <s_solmod.h>
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) |
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)
TCGFcalc::TCGFcalc | ( | long int | NCmp, |
double | Pp, | ||
double | Tkp | ||
) |
Constructor.
Generic constructor.
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.