Added these files. The objects are under construction.
This commit is contained in:
Harry Moffat
parent
9479564e1d
commit
6d3600d61a
2 changed files with 519 additions and 0 deletions
373
Cantera/src/thermo/IdealGasPDSS.cpp
Normal file
373
Cantera/src/thermo/IdealGasPDSS.cpp
Normal file
|
|
@ -0,0 +1,373 @@
|
|||
/**
|
||||
* @file IdealGasPDSS.cpp
|
||||
*
|
||||
* Implementation of a pressure dependent standard state
|
||||
* virtual function.
|
||||
*/
|
||||
/*
|
||||
* Copywrite (2006) Sandia Corporation. Under the terms of
|
||||
* Contract DE-AC04-94AL85000 with Sandia Corporation, the
|
||||
* U.S. Government retains certain rights in this software.
|
||||
*/
|
||||
/*
|
||||
* $Id$
|
||||
*/
|
||||
|
||||
#include "ct_defs.h"
|
||||
#include "xml.h"
|
||||
#include "ctml.h"
|
||||
#include "IdealGasPDSS.h"
|
||||
#include "importCTML.h"
|
||||
|
||||
|
||||
#include "ThermoPhase.h"
|
||||
|
||||
using namespace std;
|
||||
|
||||
namespace Cantera {
|
||||
/**
|
||||
* Basic list of constructors and duplicators
|
||||
*/
|
||||
|
||||
IdealGasPDSS::IdealGasPDSS(ThermoPhase *tp, int spindex) :
|
||||
PDSS(tp, spindex)
|
||||
{
|
||||
constructPDSS(tp, spindex);
|
||||
}
|
||||
|
||||
|
||||
IdealGasPDSS::IdealGasPDSS(ThermoPhase *tp, int spindex, std::string inputFile, std::string id) :
|
||||
PDSS(tp, spindex)
|
||||
{
|
||||
constructPDSSFile(tp, spindex, inputFile, id);
|
||||
}
|
||||
|
||||
|
||||
IdealGasPDSS::IdealGasPDSS(ThermoPhase *tp, int spindex, XML_Node& phaseRoot, std::string id) :
|
||||
PDSS(tp, spindex)
|
||||
{
|
||||
constructPDSSXML(tp, spindex, phaseRoot, id) ;
|
||||
}
|
||||
|
||||
|
||||
IdealGasPDSS::IdealGasPDSS(const IdealGasPDSS &b) :
|
||||
PDSS(b)
|
||||
{
|
||||
/*
|
||||
* Use the assignment operator to do the brunt
|
||||
* of the work for the copy construtor.
|
||||
*/
|
||||
*this = b;
|
||||
}
|
||||
|
||||
/**
|
||||
* Assignment operator
|
||||
*/
|
||||
IdealGasPDSS& IdealGasPDSS::operator=(const IdealGasPDSS&b) {
|
||||
if (&b == this) return *this;
|
||||
PDSS::operator=(b);
|
||||
return *this;
|
||||
}
|
||||
|
||||
IdealGasPDSS::~IdealGasPDSS() {
|
||||
}
|
||||
|
||||
void IdealGasPDSS::constructPDSS(ThermoPhase *tp, int spindex) {
|
||||
initThermo();
|
||||
}
|
||||
|
||||
|
||||
/**
|
||||
* constructPDSSXML:
|
||||
*
|
||||
* Initialization of a IdealGasPDSS object using an
|
||||
* xml file.
|
||||
*
|
||||
* This routine is a precursor to initThermo(XML_Node*)
|
||||
* routine, which does most of the work.
|
||||
*
|
||||
* @param infile XML file containing the description of the
|
||||
* phase
|
||||
*
|
||||
* @param id Optional parameter identifying the name of the
|
||||
* phase. If none is given, the first XML
|
||||
* phase element will be used.
|
||||
*/
|
||||
void IdealGasPDSS::constructPDSSXML(ThermoPhase *tp, int spindex,
|
||||
XML_Node& phaseNode, std::string id) {
|
||||
initThermo();
|
||||
}
|
||||
|
||||
|
||||
/**
|
||||
* constructPDSSFile():
|
||||
*
|
||||
* Initialization of a IdealGasPDSS object using an
|
||||
* xml file.
|
||||
*
|
||||
* This routine is a precursor to initThermo(XML_Node*)
|
||||
* routine, which does most of the work.
|
||||
*
|
||||
* @param infile XML file containing the description of the
|
||||
* phase
|
||||
*
|
||||
* @param id Optional parameter identifying the name of the
|
||||
* phase. If none is given, the first XML
|
||||
* phase element will be used.
|
||||
*/
|
||||
void IdealGasPDSS::constructPDSSFile(ThermoPhase *tp, int spindex,
|
||||
std::string inputFile, std::string id) {
|
||||
|
||||
if (inputFile.size() == 0) {
|
||||
throw CanteraError("IdealGasPDSS::initThermo",
|
||||
"input file is null");
|
||||
}
|
||||
std::string path = findInputFile(inputFile);
|
||||
ifstream fin(path.c_str());
|
||||
if (!fin) {
|
||||
throw CanteraError("IdealGasPDSS::initThermo","could not open "
|
||||
+path+" for reading.");
|
||||
}
|
||||
/*
|
||||
* The phase object automatically constructs an XML object.
|
||||
* Use this object to store information.
|
||||
*/
|
||||
|
||||
XML_Node *fxml = new XML_Node();
|
||||
fxml->build(fin);
|
||||
XML_Node *fxml_phase = findXMLPhase(fxml, id);
|
||||
if (!fxml_phase) {
|
||||
throw CanteraError("IdealGasPDSS::initThermo",
|
||||
"ERROR: Can not find phase named " +
|
||||
id + " in file named " + inputFile);
|
||||
}
|
||||
constructPDSSXML(tp, spindex, *fxml_phase, id);
|
||||
delete fxml;
|
||||
}
|
||||
|
||||
void IdealGasPDSS::
|
||||
initThermoXML(XML_Node& phaseNode, std::string id) {
|
||||
initThermo();
|
||||
}
|
||||
|
||||
void IdealGasPDSS::initThermo() {
|
||||
}
|
||||
|
||||
void IdealGasPDSS::
|
||||
setParametersFromXML(const XML_Node& eosdata) {
|
||||
}
|
||||
|
||||
/**
|
||||
* Return the molar enthalpy in units of J kmol-1
|
||||
*/
|
||||
doublereal IdealGasPDSS::
|
||||
enthalpy_mole() const {
|
||||
throw CanteraError("IdealGasPDSS::enthalpy_mole()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
/**
|
||||
* Calculate the internal energy in mks units of
|
||||
* J kmol-1
|
||||
*/
|
||||
doublereal IdealGasPDSS::
|
||||
intEnergy_mole() const {
|
||||
throw CanteraError("IdealGasPDSS::enthalpy_mole()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
/**
|
||||
* Calculate the entropy in mks units of
|
||||
* J kmol-1 K-1
|
||||
*/
|
||||
doublereal IdealGasPDSS::
|
||||
entropy_mole() const {
|
||||
|
||||
throw CanteraError("IdealGasPDSS::entropy_mole()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
/**
|
||||
* Calculate the Gibbs free energy in mks units of
|
||||
* J kmol-1 K-1.
|
||||
*/
|
||||
doublereal IdealGasPDSS::
|
||||
gibbs_mole() const {
|
||||
throw CanteraError("IdealGasPDSS::gibbs_mole()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
/**
|
||||
* Calculate the constant pressure heat capacity
|
||||
* in mks units of J kmol-1 K-1
|
||||
*/
|
||||
doublereal IdealGasPDSS::
|
||||
cp_mole() const {
|
||||
throw CanteraError("IdealGasPDSS::cp_mole()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
/**
|
||||
* Calculate the constant volume heat capacity
|
||||
* in mks units of J kmol-1 K-1
|
||||
*/
|
||||
doublereal IdealGasPDSS::
|
||||
cv_mole() const {
|
||||
throw CanteraError("IdealGasPDSS::cv_mole()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
|
||||
/**
|
||||
* Return the difference in enthalpy between current p
|
||||
* and ref p0, in mks units of
|
||||
* in units of J kmol-1
|
||||
*/
|
||||
doublereal IdealGasPDSS::
|
||||
enthalpyDelp_mole() const {
|
||||
throw CanteraError("IdealGasPDSS::enthalpy_mole()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
/**
|
||||
* Calculate difference in the internal energy between current p
|
||||
* and ref p0, in mks units of
|
||||
* J kmol-1
|
||||
*/
|
||||
doublereal IdealGasPDSS::
|
||||
intEnergyDelp_mole() const {
|
||||
throw CanteraError("IdealGasPDSS::enthalpyDelp_mole()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
/**
|
||||
* Return the difference in entropy between current p
|
||||
* and ref p0, in mks units of
|
||||
* J kmol-1 K-1
|
||||
*/
|
||||
doublereal IdealGasPDSS::
|
||||
entropyDelp_mole() const {
|
||||
|
||||
throw CanteraError("IdealGasPDSS::entropyDelp_mole()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
/**
|
||||
* Calculate the difference in Gibbs free energy between current p and
|
||||
* the ref p0, in mks units of
|
||||
* J kmol-1 K-1.
|
||||
*/
|
||||
doublereal IdealGasPDSS::
|
||||
gibbsDelp_mole() const {
|
||||
throw CanteraError("IdealGasPDSS::gibbsDelp_mole()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
/**
|
||||
* Calculate the difference in the constant pressure heat capacity
|
||||
* between the current p and the ref p0,
|
||||
* in mks units of J kmol-1 K-1
|
||||
*/
|
||||
doublereal IdealGasPDSS::
|
||||
cpDelp_mole() const {
|
||||
throw CanteraError("IdealGasPDSS::cpDelp_mole()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
/**
|
||||
* Calculate the difference in constant volume heat capacity
|
||||
* between the current p and the ref p0
|
||||
* in mks units of J kmol-1 K-1
|
||||
*/
|
||||
doublereal IdealGasPDSS::
|
||||
cvDelp_mole() const {
|
||||
throw CanteraError("IdealGasPDSS::cvDelp_mole()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
/**
|
||||
* Calculate the pressure (Pascals), given the temperature and density
|
||||
* Temperature: kelvin
|
||||
* rho: density in kg m-3
|
||||
*/
|
||||
doublereal IdealGasPDSS::
|
||||
pressure() const {
|
||||
throw CanteraError("IdealGasPDSS::pressure()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
void IdealGasPDSS::
|
||||
setPressure(doublereal p) {
|
||||
throw CanteraError("IdealGasPDSS::pressure()", "unimplemented");
|
||||
}
|
||||
|
||||
|
||||
/// critical temperature
|
||||
doublereal IdealGasPDSS::critTemperature() const {
|
||||
throw CanteraError("IdealGasPDSS::critTemperature()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
/// critical pressure
|
||||
doublereal IdealGasPDSS::critPressure() const {
|
||||
throw CanteraError("IdealGasPDSS::critPressure()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
/// critical density
|
||||
doublereal IdealGasPDSS::critDensity() const {
|
||||
throw CanteraError("IdealGasPDSS::critDensity()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
void IdealGasPDSS::setDensity(double dens) {
|
||||
m_dens = dens;
|
||||
}
|
||||
|
||||
/**
|
||||
* Return the density of the standard state
|
||||
*
|
||||
* We assume that the storred density is current.
|
||||
* Note, this is the density of the standard state,
|
||||
* not of the mixture.
|
||||
*/
|
||||
double IdealGasPDSS::density() const {
|
||||
return m_dens;
|
||||
}
|
||||
|
||||
/**
|
||||
* Return the temperature
|
||||
*
|
||||
* Obtain the temperature from the owning ThermoPhase object
|
||||
* if you can.
|
||||
*/
|
||||
double IdealGasPDSS::temperature() const {
|
||||
if (m_tp) {
|
||||
m_temp = m_tp->temperature();
|
||||
}
|
||||
return m_temp;
|
||||
}
|
||||
|
||||
void IdealGasPDSS::setTemperature(double temp) {
|
||||
m_temp = temp;
|
||||
}
|
||||
|
||||
doublereal IdealGasPDSS::molecularWeight() const {
|
||||
return m_mw;
|
||||
}
|
||||
void IdealGasPDSS::setMolecularWeight(double mw) {
|
||||
m_mw = mw;
|
||||
}
|
||||
|
||||
void IdealGasPDSS::setState_TP(double temp, double pres) {
|
||||
throw CanteraError("IdealGasPDSS::setState_TP()", "unimplemented");
|
||||
}
|
||||
|
||||
/// saturation pressure
|
||||
doublereal IdealGasPDSS::satPressure(doublereal t){
|
||||
throw CanteraError("IdealGasPDSS::satPressure()", "unimplemented");
|
||||
return (0.0);
|
||||
}
|
||||
|
||||
|
||||
}
|
||||
146
Cantera/src/thermo/IdealGasPDSS.h
Normal file
146
Cantera/src/thermo/IdealGasPDSS.h
Normal file
|
|
@ -0,0 +1,146 @@
|
|||
/**
|
||||
* @file IDEALGASPDSS.h
|
||||
*
|
||||
* Declares class PDSS pressure dependent standard state
|
||||
* for a single species
|
||||
*/
|
||||
/*
|
||||
* Copywrite (2006) Sandia Corporation. Under the terms of
|
||||
* Contract DE-AC04-94AL85000 with Sandia Corporation, the
|
||||
* U.S. Government retains certain rights in this software.
|
||||
*/
|
||||
/*
|
||||
* $Id$
|
||||
*/
|
||||
|
||||
#ifndef CT_IDEALGASPDSS_H
|
||||
#define CT_IDEALGASPDSS_H
|
||||
|
||||
#include "PDSS.h"
|
||||
|
||||
class XML_Node;
|
||||
class ThermoPhase;
|
||||
|
||||
namespace Cantera {
|
||||
|
||||
|
||||
/**
|
||||
* Class for pressure dependent standard states.
|
||||
* This class is for a single Ideal Gas species.
|
||||
*
|
||||
*/
|
||||
class IdealGasPDSS : public PDSS {
|
||||
|
||||
public:
|
||||
|
||||
/**
|
||||
* Basic list of constructors and duplicators
|
||||
*/
|
||||
IdealGasPDSS(ThermoPhase *tp, int spindex);
|
||||
IdealGasPDSS(const IdealGasPDSS &b);
|
||||
IdealGasPDSS& operator=(const IdealGasPDSS&b);
|
||||
IdealGasPDSS(ThermoPhase *tp, int spindex, std::string inputFile, std::string id = "");
|
||||
IdealGasPDSS(ThermoPhase *tp, int spindex, XML_Node& phaseRef, std::string id = "");
|
||||
virtual ~IdealGasPDSS();
|
||||
|
||||
/**
|
||||
*
|
||||
* @name Utilities
|
||||
* @{
|
||||
*/
|
||||
virtual int pdssType() const { return -1; }
|
||||
|
||||
/**
|
||||
* @}
|
||||
* @name Molar Thermodynamic Properties of the Solution --------------
|
||||
* @{
|
||||
*/
|
||||
virtual doublereal enthalpy_mole() const;
|
||||
virtual doublereal intEnergy_mole() const;
|
||||
virtual doublereal entropy_mole() const;
|
||||
virtual doublereal gibbs_mole() const;
|
||||
virtual doublereal cp_mole() const;
|
||||
virtual doublereal cv_mole() const;
|
||||
|
||||
/*
|
||||
* Get the difference in the standard state thermodynamic properties
|
||||
* between the reference pressure, po, and the current pressure.
|
||||
*/
|
||||
virtual doublereal enthalpyDelp_mole() const;
|
||||
virtual doublereal intEnergyDelp_mole() const;
|
||||
virtual doublereal entropyDelp_mole() const;
|
||||
virtual doublereal gibbsDelp_mole() const;
|
||||
virtual doublereal cpDelp_mole() const;
|
||||
virtual doublereal cvDelp_mole() const;
|
||||
|
||||
//@}
|
||||
/// @name Mechanical Equation of State Properties ---------------------
|
||||
//@{
|
||||
|
||||
virtual doublereal pressure() const;
|
||||
virtual void setPressure(doublereal p);
|
||||
|
||||
//@}
|
||||
/// @name Partial Molar Properties of the Solution -----------------
|
||||
//@{
|
||||
|
||||
virtual void getChemPotentials(doublereal* mu) const {
|
||||
mu[0] = gibbs_mole();
|
||||
}
|
||||
|
||||
//@}
|
||||
/// @name Properties of the Standard State of the Species
|
||||
// in the Solution --
|
||||
//@{
|
||||
|
||||
|
||||
/// critical temperature
|
||||
virtual doublereal critTemperature() const;
|
||||
|
||||
/// critical pressure
|
||||
virtual doublereal critPressure() const;
|
||||
|
||||
/// critical density
|
||||
virtual doublereal critDensity() const;
|
||||
|
||||
/// saturation temperature
|
||||
//virtual doublereal satTemperature(doublereal p) const;
|
||||
|
||||
|
||||
|
||||
/// saturation pressure
|
||||
virtual doublereal satPressure(doublereal t);
|
||||
|
||||
virtual void setDensity(double dens);
|
||||
double density() const;
|
||||
virtual void setTemperature(double temp);
|
||||
double temperature() const;
|
||||
virtual void setState_TP(double temp, double pres);
|
||||
|
||||
doublereal molecularWeight() const;
|
||||
void setMolecularWeight(double mw);
|
||||
|
||||
virtual void constructPDSS(ThermoPhase *tp, int spindex);
|
||||
virtual void constructPDSSFile(ThermoPhase *tp, int spindex,
|
||||
std::string inputFile, std::string id);
|
||||
virtual void constructPDSSXML(ThermoPhase *tp, int spindex,
|
||||
XML_Node& phaseNode, std::string id);
|
||||
virtual void initThermoXML(XML_Node& eosdata, std::string id);
|
||||
virtual void initThermo();
|
||||
virtual void setParametersFromXML(const XML_Node& eosdata);
|
||||
|
||||
protected:
|
||||
|
||||
int m_kk, m_mm;
|
||||
doublereal m_tmin, m_tmax, m_p0;
|
||||
|
||||
|
||||
|
||||
};
|
||||
|
||||
}
|
||||
|
||||
#endif
|
||||
|
||||
|
||||
|
||||
Loading…
Add table
Reference in a new issue