#include <DMWvapor.h>
Inheritance diagram for DMWvapor:
Public Member Functions | |
| DMWvapor () | |
| constructor | |
| virtual | ~DMWvapor () |
| destructor | |
| virtual void | setTk (double ltk) |
| set temperature in Kelvins | |
| virtual void | setPa (double lpq) |
| set pressure in Pascals | |
| virtual double | getGibbs () |
| Gibbs free energy in Joules. | |
| virtual double | getEnthalpy () |
| enthalpy in Joules | |
| virtual double | getEntropy () |
| entropy in Joules/Kelvin | |
| virtual void | getVolume () |
| get volume in m^3 | |
Public Attributes | |
| const int | NCOMP |
| number of components | |
| const int | NSPEC |
| number of species | |
| const int | H2DEX |
| hydrogen index (component and species) | |
| const int | N2DEX |
| nitrogen index (component and species) | |
| const int | O2DEX |
| oxygen index (component and species) | |
| const int | S2DEX |
| sulfur index (component and species) | |
| const int | CL2DEX |
| chlorine index (component and species) | |
| const int | CODEX |
| carbon monoxide index (component and species) | |
| const int | H2SDEX |
| H2S index (species). | |
| const int | CH4DEX |
| methane index (species) | |
| const int | CO2DEX |
| carbon dioxide index (species) | |
| const int | H2ODEX |
| water index (species) | |
| const int | SO2DEX |
| SO2 index (species). | |
Protected Member Functions | |
| virtual void | init () |
| allocates space and initializes variables | |
| virtual double | mufunc (int p, double *x) |
| virtual double | dmufunc (int m, int p, double *x) |
| virtual double | muxs (int ispec, double *x) |
| virtual double | dmuxs (int m, int p, double *x) |
| virtual void | update () |
| supplements SpecSolution::update() method | |
| virtual void | updateMvars () throw (PhaseError *) |
| updates Tm, Pm, Vm, sigma, epsilon and Z according to current T,P and speciation | |
Protected Attributes | |
| double pb double | Z |
| pressure in bars | |
| double | B |
| thermal/composition parameters for Z. | |
| double | C |
| double | D |
| double | E |
| double | dZdVm |
| commonly used Z derivatives | |
| double | dZdTm |
| double | Tm |
| reference temperature in K | |
| double | Pm |
| reference pressure in bars | |
| double | Vm |
| reference volume in dm^3 | |
| double | sigma |
| bulk L-J bond length parameter | |
| double | epsilon |
| bulk L-J well-depth parameter | |
| double | sigmavec [11] |
| species L-J bond length parameters | |
| double | epsilonvec [11] |
| species L-J well-depth parameters | |
Static Protected Attributes | |
| static double | a [15] |
| DMW methane parameters. Indexed 1-14, as in original reference. | |
| static double ** | k [2] |
| DMW mixing parameters. | |
| static double | allstoich [11][6] |
| matrix of species stoichiometries | |
Detailed Description
Implementation of 6 comp. Duan et al corresponding state solution. from: Duan, Moller and Weare (1996), A general equation of state for supercritical fluid mixtures and molecular dynamics simulation of mixture PVTX properties. GCA v.60:1209-1216.
- Id:
- DMWvapor.h,v 1.7 2007/07/23 19:55:50 ghiorso Exp
- Version:
- Revision:
- 1.7
- See also:
- DMWphase
- DMWdata
Definition at line 26 of file DMWvapor.h.
Member Function Documentation
| virtual double DMWvapor::dmufunc | ( | int | m, | |
| int | p, | |||
| double * | x | |||
| ) | [protected, virtual] |
function that returns dmu[m]/dx[p] for current species
- Parameters:
-
m species number p species number x species mole fractions
Reimplemented from SpecSolNID.
| virtual double DMWvapor::dmuxs | ( | int | m, | |
| int | p, | |||
| double * | x | |||
| ) | [protected, virtual] |
excess part of dm/dxi from provisional species estimate
- Parameters:
-
m species number p species number x species mole fractions
Reimplemented from SpecSolNID.
| virtual double DMWvapor::mufunc | ( | int | p, | |
| double * | x | |||
| ) | [protected, virtual] |
function that returns mu from provisional species mole frac estimate
- Parameters:
-
p species number x species mole fractions
Reimplemented from SpecSolNID.
| virtual double DMWvapor::muxs | ( | int | ispec, | |
| double * | x | |||
| ) | [protected, virtual] |
excess part of chemical potential from provisional species estimate
- Parameters:
-
ispec species number x species mole fractions
Reimplemented from SpecSolNID.
Member Data Documentation
double pb double DMWvapor::Z [protected] |
The documentation for this class was generated from the following file:
Generated on Fri Aug 6 2010 13:30:30 for phases by
1.7.1