Updates to BinarySolutionTabulatedThermo and test file.
-Fixes small typo id incclude/cantera/base/utilities.h docstring -Removes `m_formGC` from BinarySolutionTabulatedThermo class, and instead utilizes version and functionality inherited from parent class `IdealSolidSolnPhase`. -Moves samples/matlab/lithium_ion_battery/lithium_ion_battery.cti to data/inputs/lithium_ion_battery.cti -Fixes typo in test/data/BinarySolutionTabulatedThermo.cti -Updates expected_result values in several test cases in test/thermo/BinarySolutionTabulatedThermo_Test.cpp
This commit is contained in:
Steven DeCaluwe
Ray Speth
parent
ae555fb063
commit
05fdd356f2
5 changed files with 41 additions and 95 deletions
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@ -397,7 +397,7 @@ inline void scatter_mult(InputIter mult_begin, InputIter mult_end,
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* The template arguments are: template<class InputIter>
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*
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* A small number (1.0E-20) is added before taking the log. This templated
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* class does the indicated sun. The template must be an iterator.
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* class does the indicated sum. The template must be an iterator.
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*
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* @param begin Iterator pointing to the beginning, belonging to the
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* iterator class InputIter.
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@ -113,47 +113,31 @@ namespace Cantera
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class BinarySolutionTabulatedThermo : public IdealSolidSolnPhase
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{
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public:
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/**
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* Constructor for BinarySolutionTabulatedThermo.
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* The generalized concentrations can have three different forms
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* depending on the value of the member attribute #m_formGC, which
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* is supplied in the constructor or read from the XML data file.
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*
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* @param formCG This parameter initializes the #m_formGC variable.
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*/
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BinarySolutionTabulatedThermo(int formCG=0);
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//! Default constructor for BinarySolutionTabulatedThermo
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BinarySolutionTabulatedThermo();
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//! Construct and initialize an BinarySolutionTabulatedThermo ThermoPhase object
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//! directly from an ASCII input file
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/*!
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* This constructor will also fully initialize the object.
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* The generalized concentrations can have three different forms
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* depending on the value of the member attribute #m_formGC, which
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* is supplied in the constructor or read from the XML data file.
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*
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* @param infile File name for the XML datafile containing information
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* for this phase
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* @param id The name of this phase. This is used to look up
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* the phase in the XML datafile.
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* @param formCG This parameter initializes the #m_formGC variable.
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*/
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BinarySolutionTabulatedThermo(const std::string& infile, const std::string& id="", int formCG=0);
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BinarySolutionTabulatedThermo(const std::string& infile, const std::string& id="");
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//! Construct and initialize an BinarySolutionTabulatedThermo ThermoPhase object
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//! directly from an XML database
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/*!
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* The generalized concentrations can have three different forms
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* depending on the value of the member attribute #m_formGC, which
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* is supplied in the constructor and/or read from the data file.
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*
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* @param root XML tree containing a description of the phase.
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* The tree must be positioned at the XML element
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* named phase with id, "id", on input to this routine.
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* @param id The name of this phase. This is used to look up
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* the phase in the XML datafile.
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* @param formCG This parameter initializes the #m_formGC variable.
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*/
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BinarySolutionTabulatedThermo(XML_Node& root, const std::string& id="", int formCG=0);
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BinarySolutionTabulatedThermo(XML_Node& root, const std::string& id="");
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virtual std::string type() const {
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return "BinarySolutionTabulatedThermo";
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@ -162,15 +146,6 @@ public:
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virtual void initThermoXML(XML_Node& phaseNode, const std::string& id_);
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protected:
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int m_formGC;
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double m_Pref;
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double m_Pcurrent;
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vector_fp m_speciesMolarVolume;
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//! If the compositions have changed, update the tabulated thermo lookup
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virtual void compositionChanged();
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@ -19,40 +19,19 @@
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namespace Cantera
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{
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BinarySolutionTabulatedThermo::BinarySolutionTabulatedThermo(int formGC) :
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m_formGC(formGC),
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m_Pref(OneAtm),
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m_Pcurrent(OneAtm)
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BinarySolutionTabulatedThermo::BinarySolutionTabulatedThermo()
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{
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if (formGC < 0 || formGC > 2) {
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throw CanteraError(" BinarySolutionTabulatedThermo Constructor",
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" Illegal value of formGC");
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}
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}
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BinarySolutionTabulatedThermo::BinarySolutionTabulatedThermo(const std::string& inputFile,
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const std::string& id_, int formGC) :
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m_formGC(formGC),
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m_Pref(OneAtm),
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m_Pcurrent(OneAtm)
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const std::string& id_)
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{
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if (formGC < 0 || formGC > 2) {
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throw CanteraError(" BinarySolutionTabulatedThermo Constructor",
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" Illegal value of formGC");
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}
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initThermoFile(inputFile, id_);
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}
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BinarySolutionTabulatedThermo::BinarySolutionTabulatedThermo(XML_Node& root, const std::string& id_,
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int formGC) :
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m_formGC(formGC),
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m_Pref(OneAtm),
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m_Pcurrent(OneAtm)
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BinarySolutionTabulatedThermo::BinarySolutionTabulatedThermo(XML_Node& root,
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const std::string& id_)
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{
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if (formGC < 0 || formGC > 2) {
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throw CanteraError(" BinarySolutionTabulatedThermo Constructor",
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" Illegal value of formGC");
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}
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importPhase(root, this);
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}
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@ -86,6 +65,7 @@ void BinarySolutionTabulatedThermo::_updateThermo()
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dS_corr = GasConstant*std::log(xnow/(1.0-xnow)) + GasConstant/Faraday*std::log(this->standardConcentration(1-m_kk_tab)/this->standardConcentration(m_kk_tab));
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}
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c[2] = d[1] * 1e3 + dS_corr; // 1e3 for conversion J/K/mol -> J/K/kmol
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c[3] = 0.0;
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type = m_spthermo.reportType(m_kk_tab);
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tlow = m_spthermo.minTemp(m_kk_tab);
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@ -184,17 +164,7 @@ void BinarySolutionTabulatedThermo::initThermoXML(XML_Node& phaseNode, const std
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*/
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if (phaseNode.hasChild("standardConc")) {
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XML_Node& scNode = phaseNode.child("standardConc");
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std::string formString = scNode.attrib("model");
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if (caseInsensitiveEquals(formString, "unity")) {
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m_formGC = 0;
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} else if (caseInsensitiveEquals(formString, "molar_volume")) {
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m_formGC = 1;
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} else if (caseInsensitiveEquals(formString, "solvent_volume")) {
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m_formGC = 2;
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} else {
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throw CanteraError("BinarySolutionTabulatedThermo::initThermoXML",
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"Unknown standardConc model: " + formString);
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}
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setStandardConcentrationModel(scNode.attrib("model"));
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} else {
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throw CanteraError("BinarySolutionTabulatedThermo::initThermoXML",
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"Unspecified standardConc model");
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@ -13,7 +13,7 @@ BinarySolutionTabulatedThermo(
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standard_concentration = "molar_volume",
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tabulated_thermo = table(
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moleFraction = ([5.75000E-03,1.77591E-02,2.97682E-02,4.17773E-02,5.37864E-02,
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6.57954E-02,7.78045E-02,8.98136E-06,1.01823E-01,1.13832E-01,
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6.57954E-02,7.78045E-02,8.98136E-02,1.01823E-01,1.13832E-01,
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1.25841E-01,1.37850E-01,1.49859E-01,1.61868E-01,1.73877E-01,
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1.85886E-01,1.97896E-01,2.09904E-01,2.21914E-01,2.33923E-01,
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2.45932E-01,2.57941E-01,2.69950E-01,2.81959E-01,2.93968E-01,
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@ -33,7 +33,7 @@ TEST_F(BinarySolutionTabulatedThermo_Test,interp_h)
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test_phase->setState_TP(298.15, 101325.);
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// These expected results are purely a regression test
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const double expected_result[9] = {
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-1019148.841268,
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-1024991.831815,
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-1512199.970459,
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-2143625.893392,
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-2704188.166163,
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@ -60,15 +60,15 @@ TEST_F(BinarySolutionTabulatedThermo_Test,interp_s)
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test_phase->setState_TP(298.15, 101325.);
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// These expected results are purely a regression test
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const double expected_result[9] = {
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3852.587527,
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5260.898245,
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5764.709566,
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7786.429343,
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10411.473830,
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15276.785622,
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17900.243026,
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22085.482446,
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25989.143405
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3839.8896369,
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5260.8982298,
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5764.7095442,
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7786.4293148,
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10411.4737952,
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15276.7855795,
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17900.2429773,
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22085.4823903,
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25989.1433421
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};
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double xmin = 0.10;
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@ -78,6 +78,7 @@ TEST_F(BinarySolutionTabulatedThermo_Test,interp_s)
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for (int i = 0; i < 9; ++i)
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{
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set_defect_X(xmin + i*dx);
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EXPECT_NEAR(expected_result[i], test_phase->entropy_mole(), 1.e-6);
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}
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}
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@ -88,15 +89,15 @@ TEST_F(BinarySolutionTabulatedThermo_Test,chem_potentials)
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test_phase->setState_TP(298.15,101325.);
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// These expected results are purely a regression test
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const double expected_result[9] = {
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-19327320.552727,
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-14757822.382223,
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-12593133.583222,
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-12626837.825618,
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-12131010.419483,
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-10322881.783439,
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- 9573869.751959,
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-10260863.681331,
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-10579827.118452
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-19347891.6985338,
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-14757822.3571570,
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-12593133.5581558,
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-12626837.8005517,
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-12131010.3944173,
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-10322881.7583731,
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- 9573869.7268930,
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-10260863.6562655,
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-10579827.0933861
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};
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double xmin = 0.10;
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@ -134,15 +135,15 @@ TEST_F(BinarySolutionTabulatedThermo_Test,partialMolarEntropies)
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test_phase->setState_TP(298.15,101325.);
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// These expected results are purely a regression test
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const double expected_result[9] = {
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30641.731142,
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21514.841963,
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14848.028521,
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15965.482525,
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18272.567039,
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24453.517156,
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25299.003289,
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28474.698696,
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30810.093898
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30514.7522401,
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21514.8418794,
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14848.0284372,
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15965.4824414,
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18272.5669557,
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24453.5170723,
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25299.0032059,
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28474.6986124,
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30810.0938144
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};
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double xmin = 0.10;
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