DMWvapor Class Reference

#include <DMWvapor.h>

Inheritance diagram for DMWvapor:

List of all members.

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
	compressibility factor
double	B
	thermal/composition parameters for Z.
double	C
	thermal/composition parameters for Z.
double	D
	thermal/composition parameters for Z.
double	E
	thermal/composition parameters for Z.
double	dZdVm
	commonly used Z derivatives
double	dZdTm
	commonly used Z derivatives
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
double	a [15]
	DMW methane parameters. Indexed 1-14, as in original reference.
double **	k [2]
	DMW mixing parameters.
double	allstoich [11][6]
	matrix of species stoichiometries

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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

Author:

Victor Kress

Version:

Revision

1.7

See also:

DMWphase

DMWdata

Definition at line 26 of file DMWvapor.h.

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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.

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

• DMWvapor.h

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