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Added missing partial molar functions.

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This commit is contained in:
Harry Moffat 2007-05-24 21:09:52 +00:00
parent dafd2ad411
commit 86a6070392
2 changed files with 82 additions and 13 deletions
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46
Cantera/src/thermo/SurfPhase.cpp
View file

@ -1,8 +1,9 @@
/**
* @file SurfPhase.cpp
* Definitions for a simple thermoydnamics model of a surface phase derived from ThermoPhase,
* assuming an ideal solution model
* (see \ref thermoprops and class \link Cantera::SurfPhase SurfPhase\endlink).
* Definitions for a simple thermoydnamics model of a surface phase
* derived from ThermoPhase, assuming an ideal solution model
* (see \ref thermoprops and class
* \link Cantera::SurfPhase SurfPhase\endlink).
*/
// Copyright 2002 California Institute of Technology
@ -75,6 +76,45 @@ namespace Cantera {
doublereal SurfPhase::
intEnergy_mole() const { return enthalpy_mole(); }
/*
* Get the array of partial molar enthalpies of the species
* units = J / kmol
*/
void SurfPhase::getPartialMolarEnthalpies(doublereal* hbar) const {
getEnthalpy_RT(hbar);
doublereal rt = GasConstant * temperature();
for (int k = 0; k < m_kk; k++) {
hbar[k] *= rt;
}
}
// Returns an array of partial molar entropies of the species in the
// solution. Units: J/kmol/K.
/*
* @param sbar Output vector of species partial molar entropies.
* Length = m_kk. units are J/kmol/K.
*/
void SurfPhase::getPartialMolarEntropies(doublereal* sbar) const {
getEntropy_R(sbar);
for (int k = 0; k < m_kk; k++) {
sbar[k] *= GasConstant;
}
}
// Returns an array of partial molar heat capacities of the species in the
// solution. Units: J/kmol/K.
/*
* @param sbar Output vector of species partial molar entropies.
* Length = m_kk. units are J/kmol/K.
*/
void SurfPhase::getPartialMolarCp(doublereal* cpbar) const {
getCp_R(cpbar);
for (int k = 0; k < m_kk; k++) {
cpbar[k] *= GasConstant;
}
}
void SurfPhase::getPartialMolarVolumes(doublereal* vbar) const {
getStandardVolumes(vbar);
}

49
Cantera/src/thermo/SurfPhase.h
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@ -202,6 +202,44 @@ namespace Cantera {
*/
virtual doublereal intEnergy_mole() const;
//! Get the species chemical potentials. Units: J/kmol.
/*!
* This function returns a vector of chemical potentials of the
* species in solution at the current temperature, pressure
* and mole fraction of the solution.
*
* @param mu Output vector of species chemical
* potentials. Length: m_kk. Units: J/kmol
*/
virtual void getChemPotentials(doublereal* mu) const;
//! Returns an array of partial molar enthalpies for the species
//! in the mixture. Units (J/kmol)
/*!
* @param hbar Output vector of species partial molar enthalpies.
* Length: m_kk. units are J/kmol.
*/
virtual void getPartialMolarEnthalpies(doublereal* hbar) const;
//! Returns an array of partial molar entropies of the species in the
//! solution. Units: J/kmol/K.
/*!
* @param sbar Output vector of species partial molar entropies.
* Length = m_kk. units are J/kmol/K.
*/
virtual void getPartialMolarEntropies(doublereal* sbar) const;
//! Return an array of partial molar heat capacities for the
//! species in the mixture. Units: J/kmol/K
/*!
* @param cpbar Output vector of species partial molar heat
* capacities at constant pressure.
* Length = m_kk. units are J/kmol/K.
*/
virtual void getPartialMolarCp(doublereal* cpbar) const;
//! Return an array of partial molar volumes for the
//! species in the mixture. Units: m^3/kmol.
/*!
@ -222,16 +260,7 @@ namespace Cantera {
*/
virtual void getStandardChemPotentials(doublereal* mu0) const;
//! Get the species chemical potentials. Units: J/kmol.
/*!
* This function returns a vector of chemical potentials of the
* species in solution at the current temperature, pressure
* and mole fraction of the solution.
*
* @param mu Output vector of species chemical
* potentials. Length: m_kk. Units: J/kmol
*/
virtual void getChemPotentials(doublereal* mu) const;
//! Return a vector of activity concentrations for each species
/*!