42 std::string pname = Ename +
"Fixed";
48 double c[4] = {298.15, val, 0.0, 0.0};
49 shared_ptr<SpeciesThermoInterpType> stit(
61 std::string aaS = Ename +
":1";
62 s.addChild(
"atomArray", aaS);
64 XML_Node& ss = tt.addChild(
"Simple");
68 ss.addChild(
"t0",
"298.15");
69 ss.addChild(
"cp0",
"0.0");
70 ss.addChild(
"h", fmt::format(
"{}", val));
71 ss.addChild(
"s",
"0.0");
195 if (!phaseNode.
hasChild(
"thermo")) {
196 throw CanteraError(
"FixedChemPotSSTP::initThermoXML",
"no thermo XML node");
199 std::string model = tnode[
"model"];
200 if (model !=
"StoichSubstance" && model !=
"FixedChemPot" && model !=
"StoichSubstanceSSTP") {
202 "thermo model attribute must be FixedChemPot or StoichSubstance or StoichSubstanceSSTP");
206 if (model ==
"FixedChemPot") {
207 double val =
getFloat(tnode,
"chemicalPotential",
"toSI");
228 std::string model = eosdata[
"model"];
229 if (model !=
"StoichSubstance" && model !=
"FixedChemPot" && model !=
"StoichSubstanceSSTP") {
230 throw CanteraError(
"FixedChemPotSSTP::setParametersFromXML",
231 "thermo model attribute must be FixedChemPot or StoichSubstance or StoichSubstanceSSTP");
233 if (model ==
"FixedChemPotSSTP") {
234 doublereal val =
getFloat(eosdata,
"chemicalPotential",
"toSI");
virtual void getEnthalpy_RT(doublereal *hrt) const
Get the nondimensional Enthalpy functions for the species at their standard states at the current T a...
virtual void getEnthalpy_RT_ref(doublereal *hrt) const
Returns the vector of nondimensional enthalpies of the reference state at the current temperature of ...
virtual void getEntropy_R(doublereal *sr) const
Get the array of nondimensional Entropy functions for the standard state species at the current T and...
CTML ("Cantera Markup Language") is the variant of XML that Cantera uses to store data...
virtual void getParameters(int &n, doublereal *const c) const
Get the equation of state parameters in a vector.
virtual doublereal thermalExpansionCoeff() const
Return the volumetric thermal expansion coefficient. Units: 1/K.
double m_h0_RT
Dimensionless enthalpy at the (mtlast, m_p0)
const doublereal OneAtm
One atmosphere [Pa].
SpeciesThermoInterpType * newSpeciesThermoInterpType(int type, double tlow, double thigh, double pref, const double *coeffs)
Create a new SpeciesThermoInterpType object given a corresponding constant.
doublereal chemPot_
Value of the chemical potential of the bath species.
virtual void initThermo()
Initialize the ThermoPhase object after all species have been set up.
Headers for the factory class that can create known ThermoPhase objects (see Thermodynamic Properties...
virtual bool addSpecies(shared_ptr< Species > spec)
virtual void setParametersFromXML(const XML_Node &eosdata)
Set equation of state parameter values from XML entries.
Class XML_Node is a tree-based representation of the contents of an XML file.
virtual void initThermoXML(XML_Node &phaseNode, const std::string &id)
Import and initialize a ThermoPhase object using an XML tree.
virtual doublereal standardConcentration(size_t k=0) const
Return the standard concentration for the kth species.
virtual void setPressure(doublereal p)
Set the pressure at constant temperature. Units: Pa.
virtual doublereal pressure() const
Report the Pressure. Units: Pa.
void saveSpeciesData(const size_t k, const XML_Node *const data)
Store a reference pointer to the XML tree containing the species data for this phase.
virtual void getIntEnergy_RT_ref(doublereal *urt) const
Returns the vector of nondimensional internal Energies of the reference state at the current temperat...
doublereal m_tlast
last value of the temperature processed by reference state
virtual doublereal isothermalCompressibility() const
Returns the isothermal compressibility. Units: 1/Pa.
doublereal RT() const
Return the Gas Constant multiplied by the current temperature.
Pure Virtual Base class for individual species reference state thermodynamic managers and text for th...
void setName(const std::string &nm)
Sets the string name for the phase.
virtual void getActivityConcentrations(doublereal *c) const
This method returns an array of generalized concentrations.
void _updateThermo() const
virtual void getStandardChemPotentials(doublereal *mu0) const
Get the array of chemical potentials at unit activity for the species at their standard states at the...
virtual void getGibbs_RT(doublereal *grt) const
Get the nondimensional Gibbs functions for the species in their standard states at the current T and ...
virtual void getGibbs_RT_ref(doublereal *grt) const
Returns the vector of nondimensional Gibbs Free Energies of the reference state at the current temper...
double m_s0_R
Dimensionless entropy at the (mtlast, m_p0)
FixedChemPotSSTP()
Default constructor for the FixedChemPotSSTP class.
Base class for exceptions thrown by Cantera classes.
virtual void getEntropy_R_ref(doublereal *er) const
Returns the vector of nondimensional entropies of the reference state at the current temperature of t...
void importPhase(XML_Node &phase, ThermoPhase *th)
Import a phase information into an empty ThermoPhase object.
void addAttribute(const std::string &attrib, const std::string &value)
Add or modify an attribute of the current node.
void setChemicalPotential(doublereal chemPot)
Function to set the chemical potential directly.
bool hasChild(const std::string &ch) const
Tests whether the current node has a child node with a particular name.
XML_Node & child(const size_t n) const
Return a changeable reference to the n'th child of the current node.
void setNDim(size_t ndim)
Set the number of spatial dimensions (1, 2, or 3).
compositionMap parseCompString(const std::string &ss, const std::vector< std::string > &names)
Parse a composition string into a map consisting of individual key:composition pairs.
Header for factory functions to build instances of classes that manage the standard-state thermodynam...
virtual void getCp_R_ref(doublereal *cprt) const
Returns the vector of nondimensional constant pressure heat capacities of the reference state at the ...
size_t addElement(const std::string &symbol, doublereal weight=-12345.0, int atomicNumber=0, doublereal entropy298=ENTROPY298_UNKNOWN, int elem_type=CT_ELEM_TYPE_ABSPOS)
Add an element.
virtual void initThermoXML(XML_Node &phaseNode, const std::string &id)
Import and initialize a ThermoPhase object using an XML tree.
virtual void getIntEnergy_RT(doublereal *urt) const
Returns the vector of nondimensional Internal Energies of the standard state species at the current T...
virtual void getCp_R(doublereal *cpr) const
Get the nondimensional Heat Capacities at constant pressure for the species standard states at the cu...
virtual void getStandardVolumes(doublereal *vbar) const
Get the molar volumes of each species in their standard states at the current T and P of the solution...
Contains declarations for string manipulation functions within Cantera.
doublereal getFloat(const XML_Node &parent, const std::string &name, const std::string &type)
Get a floating-point value from a child element.
Header file for the FixedChemPotSSTP class, which represents a fixed-composition incompressible subst...
virtual void setParameters(int n, doublereal *const c)
Set the equation of state parameters.
doublereal m_press
The current pressure of the solution (Pa). It gets initialized to 1 atm.
void setID(const std::string &id)
Set the string id for the phase.
virtual doublereal logStandardConc(size_t k=0) const
Natural logarithm of the standard concentration of the kth species.
virtual void initThermoFile(const std::string &inputFile, const std::string &id)
Namespace for the Cantera kernel.
virtual void getPartialMolarVolumes(doublereal *vbar) const
Get the species partial molar volumes. Units: m^3/kmol.
virtual void getGibbs_ref(doublereal *g) const
Returns the vector of the Gibbs function of the reference state at the current temperature of the sol...