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[Thermo] Remove m_formGC and m_formPitzer switches from HMWSoln

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These switches only had one possible value, so were not actually useful.
This commit is contained in:
Ray Speth 2017-08-05 00:29:55 -04:00
parent e33fe6904d
commit cfc3b728f5
3 changed files with 1 additions and 105 deletions
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63
include/cantera/thermo/HMWSoln.h
View file

@ -21,21 +21,6 @@
namespace Cantera
{
/**
* Major Parameters:
* The form of the Pitzer expression refers to the form of the Gibbs free
* energy expression. The temperature dependence of the Pitzer coefficients
* are handled by another parameter.
*
* m_formPitzer = Form of the Pitzer expression
*
* PITZERFORM_BASE = 0
*
* Only one form is supported atm. This parameter is included for
* future expansion.
*/
#define PITZERFORM_BASE 0
/*!
* @name Temperature Dependence of the Pitzer Coefficients
*
@ -1716,15 +1701,6 @@ public:
*/
double AionicRadius(int k = 0) const;
/**
* formPitzer():
*
* Returns the form of the Pitzer parameterization used
*/
int formPitzer() const {
return m_formPitzer;
}
//! Print out all of the input Pitzer coefficients.
void printCoeffs() const;
@ -1799,15 +1775,6 @@ private:
//@}
private:
/**
* This is the form of the Pitzer parameterization used in this model. The
* options are described at the top of this document, and in the general
* documentation. The list is repeated here:
*
* PITZERFORM_BASE = 0 (only one supported atm)
*/
int m_formPitzer;
/**
* This is the form of the temperature dependence of Pitzer parameterization
* used in the model.
@ -1818,36 +1785,6 @@ private:
*/
int m_formPitzerTemp;
/**
* Format for the generalized concentration:
*
* 0 = unity
* 1 = molar_volume
* 2 = solvent_volume (default)
*
* The generalized concentrations can have three different forms
* depending on the value of the member attribute m_formGC, which
* is supplied in the constructor.
*
* | m_formGC | GeneralizedConc | StandardConc |
* | -------- | --------------- | ------------ |
* | 0 | X_k | 1.0 |
* | 1 | X_k / V_k | 1.0 / V_k |
* | 2 | X_k / V_N | 1.0 / V_N |
*
* The value and form of the generalized concentration will affect reaction
* rate constants involving species in this phase.
*
* (HKM Note: Using option #1 may lead to spurious results and has been
* included only with warnings. The reason is that it molar volumes of
* electrolytes may often be negative. The molar volume of H+ is defined to
* be zero too. Either options 0 or 2 are the appropriate choice. Option 0
* leads to bulk reaction rate constants which have units of s-1. Option 2
* leads to bulk reaction rate constants for bimolecular rxns which have
* units of m-3 kmol-1 s-1.)
*/
int m_formGC;
//! Vector containing the electrolyte species type
/*!
* The possible types are:

6
src/thermo/HMWSoln.cpp
View file

@ -25,9 +25,7 @@ namespace Cantera
{
HMWSoln::HMWSoln() :
m_formPitzer(PITZERFORM_BASE),
m_formPitzerTemp(PITZER_TEMP_CONSTANT),
m_formGC(2),
m_IionicMolality(0.0),
m_maxIionicStrength(100.0),
m_TempPitzerRef(298.15),
@ -74,9 +72,7 @@ HMWSoln::~HMWSoln()
}
HMWSoln::HMWSoln(const std::string& inputFile, const std::string& id_) :
m_formPitzer(PITZERFORM_BASE),
m_formPitzerTemp(PITZER_TEMP_CONSTANT),
m_formGC(2),
m_IionicMolality(0.0),
m_maxIionicStrength(100.0),
m_TempPitzerRef(298.15),
@ -120,9 +116,7 @@ HMWSoln::HMWSoln(const std::string& inputFile, const std::string& id_) :
}
HMWSoln::HMWSoln(XML_Node& phaseRoot, const std::string& id_) :
m_formPitzer(PITZERFORM_BASE),
m_formPitzerTemp(PITZER_TEMP_CONSTANT),
m_formGC(2),
m_IionicMolality(0.0),
m_maxIionicStrength(100.0),
m_TempPitzerRef(298.15),

37
src/thermo/HMWSoln_input.cpp
View file

@ -925,49 +925,14 @@ void HMWSoln::initThermoXML(XML_Node& phaseNode, const std::string& id_)
}
XML_Node& thermoNode = phaseNode.child("thermo");
// Possibly change the form of the standard concentrations
if (thermoNode.hasChild("standardConc")) {
XML_Node& scNode = thermoNode.child("standardConc");
m_formGC = 2;
string formString = scNode.attrib("model");
if (formString != "") {
if (ba::iequals(formString, "unity")) {
m_formGC = 0;
throw CanteraError("HMWSoln::initThermoXML",
"standardConc = unity not done");
} else if (ba::iequals(formString, "molar_volume")) {
m_formGC = 1;
throw CanteraError("HMWSoln::initThermoXML",
"standardConc = molar_volume not done");
} else if (ba::iequals(formString, "solvent_volume")) {
m_formGC = 2;
} else {
throw CanteraError("HMWSoln::initThermoXML",
"Unknown standardConc model: " + formString);
}
}
}
// Determine the form of the Pitzer model, We will use this information to
// size arrays below.
if (thermoNode.hasChild("activityCoefficients")) {
XML_Node& scNode = thermoNode.child("activityCoefficients");
string formString = scNode.attrib("model");
if (formString != "") {
if (ba::iequals(formString, "pitzer") || ba::iequals(formString, "default")) {
m_formPitzer = PITZERFORM_BASE;
} else if (ba::iequals(formString, "base")) {
m_formPitzer = PITZERFORM_BASE;
} else {
throw CanteraError("HMWSoln::initThermoXML",
"Unknown Pitzer ActivityCoeff model: "
+ formString);
}
}
// Determine the form of the temperature dependence of the Pitzer
// activity coefficient model.
formString = scNode.attrib("TempModel");
string formString = scNode.attrib("TempModel");
if (formString != "") {
if (ba::iequals(formString, "constant") || ba::iequals(formString, "default")) {
m_formPitzerTemp = PITZER_TEMP_CONSTANT;