diff --git a/include/cantera/thermo/HMWSoln.h b/include/cantera/thermo/HMWSoln.h index b986a2aa0..f6f8477c7 100644 --- a/include/cantera/thermo/HMWSoln.h +++ b/include/cantera/thermo/HMWSoln.h @@ -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: diff --git a/src/thermo/HMWSoln.cpp b/src/thermo/HMWSoln.cpp index 1ed47315a..7628e33ad 100644 --- a/src/thermo/HMWSoln.cpp +++ b/src/thermo/HMWSoln.cpp @@ -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), diff --git a/src/thermo/HMWSoln_input.cpp b/src/thermo/HMWSoln_input.cpp index dd376a299..45a0b74ae 100644 --- a/src/thermo/HMWSoln_input.cpp +++ b/src/thermo/HMWSoln_input.cpp @@ -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;