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[Thermo] Remove unimplemented options for m_formGC from DebyeHuckel

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This commit is contained in:
Ray Speth 2017-02-19 22:05:18 -05:00
parent a6ac446021
commit afafa34c06
2 changed files with 0 additions and 56 deletions
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30
include/cantera/thermo/DebyeHuckel.h
View file

@ -966,36 +966,6 @@ protected:
*/
int m_formDH;
/**
* 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:

26
src/thermo/DebyeHuckel.cpp
View file

@ -27,7 +27,6 @@ namespace Cantera
DebyeHuckel::DebyeHuckel() :
m_formDH(DHFORM_DILUTE_LIMIT),
m_formGC(2),
m_IionicMolality(0.0),
m_maxIionicStrength(30.0),
m_useHelgesonFixedForm(false),
@ -43,7 +42,6 @@ DebyeHuckel::DebyeHuckel() :
DebyeHuckel::DebyeHuckel(const std::string& inputFile,
const std::string& id_) :
m_formDH(DHFORM_DILUTE_LIMIT),
m_formGC(2),
m_IionicMolality(0.0),
m_maxIionicStrength(30.0),
m_useHelgesonFixedForm(false),
@ -59,7 +57,6 @@ DebyeHuckel::DebyeHuckel(const std::string& inputFile,
DebyeHuckel::DebyeHuckel(XML_Node& phaseRoot, const std::string& id_) :
m_formDH(DHFORM_DILUTE_LIMIT),
m_formGC(2),
m_IionicMolality(0.0),
m_maxIionicStrength(3.0),
m_useHelgesonFixedForm(false),
@ -380,29 +377,6 @@ void DebyeHuckel::initThermoXML(XML_Node& phaseNode, const std::string& id_)
m_formDH = DHFORM_DILUTE_LIMIT;
}
// Possibly change the form of the standard concentrations
if (thermoNode.hasChild("standardConc")) {
XML_Node& scNode = thermoNode.child("standardConc");
m_formGC = 2;
std::string formString = scNode.attrib("model");
if (formString != "") {
if (formString == "unity") {
m_formGC = 0;
throw CanteraError("DebyeHuckel::initThermoXML",
"standardConc = unity not done");
} else if (formString == "molar_volume") {
m_formGC = 1;
throw CanteraError("DebyeHuckel::initThermoXML",
"standardConc = molar_volume not done");
} else if (formString == "solvent_volume") {
m_formGC = 2;
} else {
throw CanteraError("DebyeHuckel::initThermoXML",
"Unknown standardConc model: " + formString);
}
}
}
// Reconcile the solvent name and index.
// Get the Name of the Solvent: