#include <SpecSolNID.h>
Public Member Functions | |
| SpecSolNID () | |
| generic constructor | |
| virtual | ~SpecSolNID () |
| destructor | |
| virtual double | getGibbs () |
| Gibbs free energy in Joules. | |
| virtual double | getSpecMu (int ispec) |
| calculates chemical potential for species using non-ideal mixing | |
| virtual double | getEnthalpy () |
| enthalpy in Joules | |
| double | getEntropy () |
| entropy in Joules/Kelvin | |
Protected Member Functions | |
| virtual void | init () |
| space allocation and variable initialization | |
| virtual int | speciate_function (double tol) throw (PhaseError *) |
| guts of speciation routine | |
| 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 | getd2Gds2 (double **d2gds2) |
| virtual void | getd3Gds2dT (double **d3gds2dt) |
| derivative of dmu/ds (d2G/ds2) with respect to T | |
| virtual void | getd3Gds3 (double ***d3gds3) |
Protected Attributes | |
| double ** | Wh |
| nspec x nspec matrix of Margules parameters | |
| double ** | Ws |
Private Attributes | |
| double * | grad |
| speciation variables and arrays | |
| double * | delxi |
| double ** | H |
| double * | delta |
| double * | test |
| double * | b |
| double * | d |
| double * | smalldelta |
Detailed Description
Associated solution class for non-ideal solutions. Member functions added to accomodate non-ideal solutions. Version 1.0 original working version. Version 1.1 speciate function significantly revamped to improve stability and convergence. 4/26/2000. Version 1.3 minor change to small species routine to only consider small components. 1/23/2001.
- Id:
- SpecSolNID.h,v 1.17 2006/08/29 21:47:35 kress Exp
- Revision:
- 1.17
Definition at line 25 of file SpecSolNID.h.
Member Function Documentation
| virtual double SpecSolNID::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 SpecSolution.
Reimplemented in DMWvapor.
| virtual double SpecSolNID::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 in DMWvapor.
| virtual void SpecSolNID::getd2Gds2 | ( | double ** | d2gds2 | ) | [protected, virtual] |
returns current d2G/ds2 at constant xi, where s is species vector. Reduced coordinates.
Reimplemented from SpecSolution.
| virtual void SpecSolNID::getd3Gds3 | ( | double *** | d3gds3 | ) | [protected, virtual] |
returns current d3G/ds3 at constant xi, where s is species vector. Reduced coordinates. NOT YET IMPLEMENTED
Reimplemented from SpecSolution.
| virtual double SpecSolNID::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 in DMWvapor.
| virtual double SpecSolNID::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 in DMWvapor.
Member Data Documentation
double* SpecSolNID::grad [private] |
speciation variables and arrays
returns dS/ds at constant xi, where s is species vector. Reduced coordinates. NOT YET IMPLEMENTED
Definition at line 83 of file SpecSolNID.h.
The documentation for this class was generated from the following file:
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