From afafa34c06640037af82ea1682d6d8c74ae84b36 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 19 Feb 2017 22:05:18 -0500 Subject: [PATCH] [Thermo] Remove unimplemented options for m_formGC from DebyeHuckel --- include/cantera/thermo/DebyeHuckel.h | 30 ---------------------------- src/thermo/DebyeHuckel.cpp | 26 ------------------------ 2 files changed, 56 deletions(-) diff --git a/include/cantera/thermo/DebyeHuckel.h b/include/cantera/thermo/DebyeHuckel.h index f90d1eb64..49042948b 100644 --- a/include/cantera/thermo/DebyeHuckel.h +++ b/include/cantera/thermo/DebyeHuckel.h @@ -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: diff --git a/src/thermo/DebyeHuckel.cpp b/src/thermo/DebyeHuckel.cpp index b3569b536..e1680a290 100644 --- a/src/thermo/DebyeHuckel.cpp +++ b/src/thermo/DebyeHuckel.cpp @@ -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: