diff --git a/include/cantera/thermo/HMWSoln.h b/include/cantera/thermo/HMWSoln.h index 85cef0238..4cda78f78 100644 --- a/include/cantera/thermo/HMWSoln.h +++ b/include/cantera/thermo/HMWSoln.h @@ -1608,12 +1608,6 @@ public: virtual double d2A_DebyedT2_TP(double temperature = -1.0, double pressure = -1.0) const; - //! Reports the ionic radius of the kth species - /*! - * @param k Species index - */ - double AionicRadius(int k = 0) const; - //! Print out all of the input Pitzer coefficients. void printCoeffs() const; @@ -1698,9 +1692,6 @@ private: */ int m_formPitzerTemp; - //! a_k = Size of the ionic species in the DH formulation. units = meters - vector_fp m_Aionic; - //! Current value of the ionic strength on the molality scale Associated //! Salts, if present in the mechanism, don't contribute to the value of the //! ionic strength in this version of the Ionic strength. diff --git a/src/thermo/HMWSoln.cpp b/src/thermo/HMWSoln.cpp index 9bb175346..ea444e41a 100644 --- a/src/thermo/HMWSoln.cpp +++ b/src/thermo/HMWSoln.cpp @@ -581,17 +581,11 @@ double HMWSoln::d2A_DebyedT2_TP(double tempArg, double presArg) const // ---------- Other Property Functions -double HMWSoln::AionicRadius(int k) const -{ - return m_Aionic[k]; -} - // ------------ Private and Restricted Functions ------------------ void HMWSoln::initLengths() { m_speciesSize.resize(m_kk); - m_Aionic.resize(m_kk, 0.0); m_tmpV.resize(m_kk, 0.0); m_molalitiesCropped.resize(m_kk, 0.0); diff --git a/src/thermo/HMWSoln_input.cpp b/src/thermo/HMWSoln_input.cpp index 6ee874393..2b816c5e4 100644 --- a/src/thermo/HMWSoln_input.cpp +++ b/src/thermo/HMWSoln_input.cpp @@ -1038,24 +1038,6 @@ void HMWSoln::initThermoXML(XML_Node& phaseNode, const std::string& id_) m_maxIionicStrength = getFloat(acNode, "maxIonicStrength"); } - // Look for parameters for the Ionic radius - if (acNode.hasChild("ionicRadius")) { - XML_Node& irNode = acNode.child("ionicRadius"); - double Afactor = 1.0; - if (irNode.hasAttrib("units")) { - string Aunits = irNode.attrib("units"); - Afactor = toSI(Aunits); - } - - if (irNode.hasAttrib("default")) { - string ads = irNode.attrib("default"); - double ad = fpValue(ads); - for (size_t k = 0; k < m_kk; k++) { - m_Aionic[k] = ad * Afactor; - } - } - } - // Loop through the children getting multiple instances of parameters if (acNodePtr) { for (size_t i = 0; i < acNodePtr->nChildren(); i++) { diff --git a/test_problems/cathermo/HMW_test_1/HMW_test_1.cpp b/test_problems/cathermo/HMW_test_1/HMW_test_1.cpp index bafdabaae..b4e0c828c 100644 --- a/test_problems/cathermo/HMW_test_1/HMW_test_1.cpp +++ b/test_problems/cathermo/HMW_test_1/HMW_test_1.cpp @@ -42,10 +42,6 @@ int main(int argc, char** argv) size_t nsp = HMW->nSpecies(); - double a1 = HMW->AionicRadius(1); - printf("a1 = %g\n", a1); - double a2 = HMW->AionicRadius(2); - printf("a2 = %g\n", a2); double mu0[100]; double moll[100]; string sName; diff --git a/test_problems/cathermo/HMW_test_1/output_noD_blessed.txt b/test_problems/cathermo/HMW_test_1/output_noD_blessed.txt index 879760ab0..eeccb9de8 100644 --- a/test_problems/cathermo/HMW_test_1/output_noD_blessed.txt +++ b/test_problems/cathermo/HMW_test_1/output_noD_blessed.txt @@ -26,8 +26,6 @@ Index Name MoleF MolalityCropped Charge Na+ OH- Cl- -0.00600 OH- Cl- Na+ -0.00600 OH- Na+ Cl- -0.00600 -a1 = 3.04284e-10 -a2 = 3.04284e-10 Name Activity ActCoeffMolal MoleFract Molality H2O(L) 0.7546 0.9204 0.8198 55.5084 Cl- 6.0958 0.9994 0.0901 6.0997 diff --git a/test_problems/cathermo/HMW_test_3/HMW_test_3.cpp b/test_problems/cathermo/HMW_test_3/HMW_test_3.cpp index 1229b2c38..f4d166108 100644 --- a/test_problems/cathermo/HMW_test_3/HMW_test_3.cpp +++ b/test_problems/cathermo/HMW_test_3/HMW_test_3.cpp @@ -41,10 +41,6 @@ int main(int argc, char** argv) size_t nsp = HMW->nSpecies(); - double a1 = HMW->AionicRadius(1); - printf("a1 = %.4f\n", a1); - double a2 = HMW->AionicRadius(2); - printf("a2 = %.4f\n", a2); double mu0[100]; double moll[100]; string sName; diff --git a/test_problems/cathermo/HMW_test_3/output_noD_blessed.txt b/test_problems/cathermo/HMW_test_3/output_noD_blessed.txt index 1c8217aa3..c5088cf09 100644 --- a/test_problems/cathermo/HMW_test_3/output_noD_blessed.txt +++ b/test_problems/cathermo/HMW_test_3/output_noD_blessed.txt @@ -1,5 +1,3 @@ -a1 = 0.0000 -a2 = 0.0000 Temperature = 423.1500 K Index Name MoleF MolalityCropped Charge 0 H2O(L) 8.1982292e-01 5.5508435e+01 0.0