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12 #ifndef CT_PDSS_IONSFROMNEUTRAL_H
13 #define CT_PDSS_IONSFROMNEUTRAL_H
64 virtual doublereal
cp_R()
const;
66 virtual doublereal
density()
const;
82 virtual void setState_TP(doublereal temp, doublereal pres);
90 void setNeutralSpeciesMultiplier(
const std::string& species,
double mult);
91 void setSpecialSpecies(
bool special=
true);
100 std::map<std::string, double> neutralSpeciesMultipliers_;
bool add2RTln2_
Add 2RTln2 to the entropy and Gibbs free energies for this species.
size_t numMult_
Number of neutral molecule species that make up the stoichiometric vector for this species,...
virtual doublereal enthalpy_RT() const
Return the standard state molar enthalpy divided by RT.
shared_ptr< ThermoPhase > neutralMoleculePhase_
Pointer to the Neutral Molecule ThermoPhase object.
std::vector< size_t > idNeutralMoleculeVec
Vector of species indices in the neutral molecule ThermoPhase.
virtual doublereal gibbs_RT() const
Return the molar Gibbs free energy divided by RT.
virtual doublereal intEnergy_mole() const
Return the molar internal Energy in units of J kmol-1.
virtual void setState_TP(doublereal temp, doublereal pres)
Set the internal temperature and pressure.
Derived class for pressure dependent standard states of an ideal gas species.
virtual doublereal density() const
Return the standard state density at standard state.
virtual void initThermo()
Initialization routine.
vector_fp tmpNM
Vector of length equal to the number of species in the neutral molecule phase.
std::vector< double > vector_fp
Turn on the use of stl vectors for the basic array type within cantera Vector of doubles.
Base class for PDSS classes which compute nondimensional properties directly.
virtual doublereal cp_R() const
Return the molar const pressure heat capacity divided by RT.
virtual doublereal molarVolume() const
Return the molar volume at standard state.
Class XML_Node is a tree-based representation of the contents of an XML file.
vector_fp factorVec
Stoichiometric coefficient for this species using the Neutral Molecule Species in the vector idNeutra...
virtual doublereal entropy_R_ref() const
Return the molar entropy divided by R at reference pressure.
virtual doublereal enthalpy_RT_ref() const
Return the molar enthalpy divided by RT at reference pressure.
PDSS_IonsFromNeutral()
Default constructor.
void setParent(VPStandardStateTP *phase, size_t k)
Set the parent VPStandardStateTP object of this PDSS object.
virtual doublereal molarVolume_ref() const
Return the molar volume at reference pressure.
virtual doublereal cp_R_ref() const
Return the molar heat capacity divided by R at reference pressure.
Namespace for the Cantera kernel.
void setParametersFromXML(const XML_Node &speciesNode)
Initialization routine for the PDSS object based on the speciesNode.
virtual doublereal entropy_R() const
Return the standard state entropy divided by RT.
virtual doublereal gibbs_RT_ref() const
Return the molar Gibbs free energy divided by RT at reference pressure.