Collaboration diagram for Physical Constants:

Variables
const double	Pi = 3.14159265358979323846
	Pi. More...

Thermodynamic Equilibrium Constraints
Integer numbers representing pairs of thermodynamic variables which are held constant during equilibration.
typedef std::map< std::string, double >	compositionMap
	Map connecting a string name with a double. More...

typedef std::map< std::string, double >	Composition
	Map from string names to doubles. More...

typedef std::vector< double >	vector_fp
	Turn on the use of stl vectors for the basic array type within cantera Vector of doubles. More...

typedef std::vector< int >	vector_int
	Vector of ints. More...

typedef std::vector< std::vector< size_t > >	grouplist_t
	A grouplist is a vector of groups of species. More...

const int	TV = 100

const int	HP = 101

const int	SP = 102

const int	PV = 103

const int	TP = 104

const int	UV = 105

const int	ST = 106

const int	SV = 107

const int	UP = 108

const int	VH = 109

const int	TH = 110

const int	SH = 111

const int	PX = 112

const int	TX = 113

const int	VT = -100

const int	PH = -101

const int	PS = -102

const int	VP = -103

const int	PT = -104

const int	VU = -105

const int	TS = -106

const int	VS = -107

const int	PU = -108

const int	HV = -109

const int	HT = -110

const int	HS = -111

const int	XP = -112

const int	XT = -113

const double	SmallNumber = 1.e-300
	smallest number to compare to zero. More...

const double	BigNumber = 1.e300
	largest number to compare to inf. More...

const double	MaxExp = 690.775527898
	largest x such that exp(x) is valid More...

const double	Undef = -999.1234
	Fairly random number to be used to initialize variables against to see if they are subsequently defined. More...

const double	Tiny = 1.e-20
	Small number to compare differences of mole fractions against. More...

const size_t	npos = static_cast<size_t>(-1)
	index returned by functions to indicate "no position" More...

Defined Constants
These constants are defined by CODATA to have a particular value. https://physics.nist.gov/cuu/Constants/index.html
const double	Avogadro = 6.02214076e26
	Avogadro's Number \( N_{\mathrm{A}} \) [number/kmol]. More...

const double	Boltzmann = 1.380649e-23
	Boltzmann constant \( k \) [J/K]. More...

const double	Planck = 6.62607015e-34
	Planck constant \( h \) [J-s]. More...

const double	ElectronCharge = 1.602176634e-19
	Elementary charge \( e \) [C]. More...

const double	lightSpeed = 299792458.0
	Speed of Light in a vacuum \( c \) [m/s]. More...

const double	OneAtm = 1.01325e5
	One atmosphere [Pa]. More...

const double	OneBar = 1.0E5
	One bar [Pa]. More...

Measured Constants
These constants are measured and reported by CODATA
const double	fineStructureConstant = 7.2973525693e-3
	Fine structure constant \( \alpha \) []. More...

const double	ElectronMass = 9.1093837015e-31
	Electron Mass \( m_e \) [kg]. More...

Derived Constants
These constants are found from the defined and measured constants
const double	Planck_bar = Planck / (2 * Pi)
	Reduced Planck constant \( \hbar \) [m2-kg/s]. More...

const double	GasConstant = Avogadro * Boltzmann
	Universal Gas Constant \( R_u \) [J/kmol/K]. More...

const double	logGasConstant = std::log(GasConstant)

const double	GasConst_cal_mol_K = GasConstant / 4184.0
	Universal gas constant in cal/mol/K. More...

const double	logBoltz_Planck = std::log(Boltzmann / Planck)
	log(k_b/h) More...

const double	StefanBoltz = Pi * Pi * std::pow(Boltzmann, 4.0) / (60.0 * std::pow(Planck_bar, 3.0) * lightSpeed * lightSpeed)
	Stefan-Boltzmann constant \( \sigma \) [W/m2/K4]. More...

const double	Faraday = ElectronCharge * Avogadro
	Faraday constant \( F \) [C/kmol]. More...

const double	permeability_0 = 2 * fineStructureConstant * Planck / (ElectronCharge * ElectronCharge * lightSpeed)
	Permeability of free space \( \mu_0 \) [N/A2]. More...

const double	epsilon_0 = 1.0 / (lightSpeed * lightSpeed * permeability_0)
	Permittivity of free space \( \varepsilon_0 \) [F/m]. More...

Detailed Description

All physical constants are stored here.

Cantera uses the MKS system of units. The unit for moles is defined to be the kmol. All values of physical constants are consistent with the 2018 CODATA recommendations.

Typedef Documentation

◆ compositionMap

typedef std::map<std::string, double> compositionMap

Map connecting a string name with a double.

This is used mostly to assign concentrations and mole fractions to species.

Definition at line 172 of file ct_defs.h.

◆ Composition

typedef std::map<std::string, double> Composition

Map from string names to doubles.

Used for defining species mole/mass fractions, elemental compositions, and reaction stoichiometries.

Definition at line 176 of file ct_defs.h.

◆ vector_fp

typedef std::vector<double> vector_fp

Turn on the use of stl vectors for the basic array type within cantera Vector of doubles.

Definition at line 180 of file ct_defs.h.

◆ vector_int

typedef std::vector<int> vector_int

Vector of ints.

Definition at line 182 of file ct_defs.h.

◆ grouplist_t

typedef std::vector<std::vector<size_t> > grouplist_t

A grouplist is a vector of groups of species.

Definition at line 185 of file ct_defs.h.

Variable Documentation

◆ Pi

const double Pi = 3.14159265358979323846

Pi.

Definition at line 53 of file ct_defs.h.

Referenced by InterfaceKinetics::buildSurfaceArrhenius(), GasTransport::fitDiffCoeffs(), IonGasTransport::fitDiffCoeffs(), GasTransport::fitProperties(), Cantera::Frot(), GasTransport::makePolarCorrections(), GasTransport::setupCollisionParameters(), IonGasTransport::setupN64(), and DustyGasTransport::updateKnudsenDiffCoeffs().

◆ Avogadro

const double Avogadro = 6.02214076e26

Avogadro's Number \( N_{\mathrm{A}} \) [number/kmol].

Definition at line 63 of file ct_defs.h.

Referenced by UnitSystem::convertActivationEnergy(), GasTransport::fitProperties(), IonFlow::ND(), UnitSystem::setDefaultActivationEnergy(), GasTransport::setupCollisionParameters(), and Unit::Unit().

◆ Boltzmann

const double Boltzmann = 1.380649e-23

Boltzmann constant \( k \) [J/K].

Definition at line 66 of file ct_defs.h.

Referenced by GasTransport::fitDiffCoeffs(), IonGasTransport::fitDiffCoeffs(), GasTransport::fitProperties(), GasTransport::getBinDiffCorrection(), MixTransport::getMobilities(), MultiTransport::init(), GasTransportData::setCustomaryUnits(), and GasTransport::setupCollisionIntegral().

◆ Planck

const double Planck = 6.62607015e-34

Planck constant \( h \) [J-s].

Definition at line 69 of file ct_defs.h.

◆ ElectronCharge

const double ElectronCharge = 1.602176634e-19

Elementary charge \( e \) [C].

Definition at line 72 of file ct_defs.h.

Referenced by IonGasTransport::electricalConductivity(), IonGasTransport::getMixDiffCoeffs(), IonGasTransport::getMobilities(), MixTransport::getMobilities(), IonFlow::rho_e(), and IonGasTransport::setupN64().

◆ lightSpeed

const double lightSpeed = 299792458.0

Speed of Light in a vacuum \( c \) [m/s].

Definition at line 75 of file ct_defs.h.

Referenced by GasTransportData::setCustomaryUnits().

◆ OneAtm

const double OneAtm = 1.01325e5

One atmosphere [Pa].

Definition at line 78 of file ct_defs.h.

Referenced by StFlow::evalResidual(), FixedChemPotSSTP::FixedChemPotSSTP(), PDSS_HKFT::initThermo(), Cantera::newConstCpThermoFromXML(), Cantera::newNasa9ThermoFromXML(), Cantera::newNasaThermoFromXML(), Cantera::newShomateThermoFromXML(), PDSS_HKFT::PDSS_HKFT(), PDSS_Water::pref_safe(), PDSS_HKFT::setParametersFromXML(), and ThermoPhase::setState().

◆ OneBar

const double OneBar = 1.0E5

One bar [Pa].

Definition at line 81 of file ct_defs.h.

◆ fineStructureConstant

const double fineStructureConstant = 7.2973525693e-3

Fine structure constant \( \alpha \) [].

Definition at line 92 of file ct_defs.h.

◆ ElectronMass

const double ElectronMass = 9.1093837015e-31

Electron Mass \( m_e \) [kg].

Definition at line 95 of file ct_defs.h.

◆ Planck_bar

const double Planck_bar = Planck / (2 * Pi)

Reduced Planck constant \( \hbar \) [m2-kg/s].

Definition at line 106 of file ct_defs.h.

◆ GasConstant

const double GasConstant = Avogadro * Boltzmann

Universal Gas Constant \( R_u \) [J/kmol/K].

Definition at line 109 of file ct_defs.h.

Referenced by BinarySolutionTabulatedThermo::_updateThermo(), SurfPhase::_updateThermo(), vcs_VolPhase::_updateVolPM(), Reactor::addSensitivitySpeciesEnthalpy(), InterfaceKinetics::buildSurfaceArrhenius(), MixtureFugacityTP::calculatePsat(), MultiPhaseEquil::computeReactionSteps(), UnitSystem::convertActivationEnergy(), ConstDensityThermo::cp_mole(), IdealGasPhase::cp_mole(), IdealSolidSolnPhase::cp_mole(), IdealSolnGasVPSS::cp_mole(), LatticePhase::cp_mole(), PDSS_Nondimensional::cp_mole(), RedlichKwongMFTP::cp_mole(), SingleSpeciesTP::cp_mole(), PDSS_Molar::cp_R(), PDSS::cpDelp_mole(), RedlichKwongMFTP::critCompressibility(), IdealGasPhase::cv_mole(), IdealSolnGasVPSS::cv_mole(), MargulesVPSSTP::cv_mole(), PDSS_IdealGas::cv_mole(), RedlichKisterVPSSTP::cv_mole(), RedlichKwongMFTP::cv_mole(), PDSS_IonsFromNeutral::density(), MixtureFugacityTP::densityCalc(), RedlichKwongMFTP::dpdVCalc(), PDSS_Nondimensional::enthalpy_mole(), PDSS_Molar::enthalpy_RT(), PDSS::enthalpyDelp_mole(), ConstDensityThermo::entropy_mole(), IdealGasPhase::entropy_mole(), IdealSolidSolnPhase::entropy_mole(), IdealSolnGasVPSS::entropy_mole(), LatticePhase::entropy_mole(), PDSS_Nondimensional::entropy_mole(), RedlichKwongMFTP::entropy_mole(), SurfPhase::entropy_mole(), PDSS_Molar::entropy_R(), PDSS::entropyDelp_mole(), ChemEquil::estimateElementPotentials(), StFlow::evalResidual(), GasTransport::fitProperties(), IdealSolidSolnPhase::getChemPotentials_RT(), RedlichKwongMFTP::getCoeff(), SurfPhase::getCp_R(), WaterSSTP::getCp_R(), BulkKinetics::getDeltaSSEntropy(), InterfaceKinetics::getDeltaSSEntropy(), PureFluidPhase::getEntropy_R(), SurfPhase::getEntropy_R(), WaterSSTP::getEntropy_R(), WaterSSTP::getGibbs_RT(), WaterSSTP::getIntEnergy_RT(), DustyGasTransport::getMolarFluxes(), DebyeHuckel::getPartialMolarCp(), HMWSoln::getPartialMolarCp(), IdealGasPhase::getPartialMolarCp(), IdealMolalSoln::getPartialMolarCp(), IdealSolidSolnPhase::getPartialMolarCp(), IdealSolnGasVPSS::getPartialMolarCp(), LatticePhase::getPartialMolarCp(), RedlichKwongMFTP::getPartialMolarCp(), SingleSpeciesTP::getPartialMolarCp(), SurfPhase::getPartialMolarCp(), DebyeHuckel::getPartialMolarEntropies(), HMWSoln::getPartialMolarEntropies(), IdealGasPhase::getPartialMolarEntropies(), IdealMolalSoln::getPartialMolarEntropies(), IdealSolidSolnPhase::getPartialMolarEntropies(), IdealSolnGasVPSS::getPartialMolarEntropies(), IonsFromNeutralVPSSTP::getPartialMolarEntropies(), LatticePhase::getPartialMolarEntropies(), RedlichKwongMFTP::getPartialMolarEntropies(), SingleSpeciesTP::getPartialMolarEntropies(), SurfPhase::getPartialMolarEntropies(), MultiTransport::getThermalDiffCoeffs(), PDSS_Nondimensional::gibbs_mole(), PDSS_Molar::gibbs_RT(), PDSS::gibbsDelp_mole(), GasKinetics::init(), PDSS_ConstVol::intEnergy_mole(), PDSS_IdealGas::intEnergy_mole(), PDSS_IonsFromNeutral::intEnergy_mole(), PDSS_SSVol::intEnergy_mole(), ConstCpPoly::modifyOneHf298(), NasaPoly1::modifyOneHf298(), ShomatePoly::modifyOneHf298(), RedlichKwongMFTP::NicholsSolve(), IdealGasPhase::pressure(), MixTransport::pressure_ig(), RedlichKwongMFTP::pressureCalc(), RedlichKwongMFTP::pressureDerivatives(), ConstCpPoly::reportHf298(), NasaPoly1::reportHf298(), ShomatePoly::reportHf298(), ThermoPhase::RT(), MargulesVPSSTP::s_update_dlnActCoeff_dT(), UnitSystem::setDefaultActivationEnergy(), ShomatePoly::setParameters(), Mu0Poly::setParameters(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_SSVol::setPressure(), IdealGasPhase::setState_RP(), PDSS_IdealGas::setState_TR(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), PDSS_SSVol::setTemperature(), ShomatePoly::ShomatePoly(), Unit::Unit(), DustyGasTransport::updateKnudsenDiffCoeffs(), MultiTransport::updateThermal_T(), VCS_SOLVE::vcs_evalSS_TP(), VCS_SOLVE::vcs_prob_specifyFully(), VCS_SOLVE::vcs_report(), and VCS_SOLVE::vcs_TP().

◆ GasConst_cal_mol_K

const double GasConst_cal_mol_K = GasConstant / 4184.0

Universal gas constant in cal/mol/K.

Definition at line 114 of file ct_defs.h.

◆ logBoltz_Planck

const double logBoltz_Planck = std::log(Boltzmann / Planck)

log(k_b/h)

Definition at line 117 of file ct_defs.h.

◆ StefanBoltz

const double StefanBoltz = Pi * Pi * std::pow(Boltzmann, 4.0) / (60.0 * std::pow(Planck_bar, 3.0) * lightSpeed * lightSpeed)

Stefan-Boltzmann constant \( \sigma \) [W/m2/K4].

Definition at line 120 of file ct_defs.h.

Referenced by StFlow::evalResidual(), and Wall::Q().

◆ Faraday

const double Faraday = ElectronCharge * Avogadro

Faraday constant \( F \) [C/kmol].

Definition at line 123 of file ct_defs.h.

Referenced by BinarySolutionTabulatedThermo::_updateThermo(), InterfaceKinetics::applyVoltageKfwdCorrection(), Phase::chargeDensity(), InterfaceKinetics::convertExchangeCurrentDensityFormulation(), ThermoPhase::getElectrochemPotentials(), MultiPhase::phaseCharge(), Unit::Unit(), InterfaceKinetics::updateMu0(), VCS_SOLVE::vcs_prob_specifyFully(), and VCS_SOLVE::vcs_TP().

◆ permeability_0

const double permeability_0 = 2 * fineStructureConstant * Planck / (ElectronCharge * ElectronCharge * lightSpeed)

Permeability of free space \( \mu_0 \) [N/A2].

Definition at line 126 of file ct_defs.h.

◆ epsilon_0

const double epsilon_0 = 1.0 / (lightSpeed * lightSpeed * permeability_0)

Permittivity of free space \( \varepsilon_0 \) [F/m].

Definition at line 129 of file ct_defs.h.

Referenced by GasTransport::makePolarCorrections(), GasTransport::setupCollisionParameters(), and IonGasTransport::setupN64().

◆ SmallNumber

const double SmallNumber = 1.e-300

smallest number to compare to zero.

Definition at line 149 of file ct_defs.h.

◆ BigNumber

const double BigNumber = 1.e300

largest number to compare to inf.

Definition at line 151 of file ct_defs.h.

Referenced by BinarySolutionTabulatedThermo::_updateThermo(), HighPressureGasTransport::thermalConductivity(), and GasKinetics::updateKc().

◆ MaxExp

const double MaxExp = 690.775527898

largest x such that exp(x) is valid

Definition at line 153 of file ct_defs.h.

◆ Undef

const double Undef = -999.1234

Fairly random number to be used to initialize variables against to see if they are subsequently defined.

Definition at line 157 of file ct_defs.h.

Referenced by StFlow::_finalize(), vcs_MultiPhaseEquil::equilibrate_HP(), MultiPhase::equilibrate_MultiPhaseEquil(), vcs_MultiPhaseEquil::equilibrate_SP(), Cantera::getFloatArray(), FlowDevice::massFlowRate(), and StFlow::save().

◆ Tiny

const double Tiny = 1.e-20

Small number to compare differences of mole fractions against.

This number is used for the interconversion of mole fraction and mass fraction quantities when the molecular weight of a species is zero. It's also used for the matrix inversion of transport properties when mole fractions must be positive.

Definition at line 166 of file ct_defs.h.

Referenced by Phase::addSpecies(), MultiPhaseEquil::computeReactionSteps(), HighPressureGasTransport::getBinaryDiffCoeffs(), MultiPhaseEquil::getComponents(), Cantera::getFloatArray(), HighPressureGasTransport::getMultiDiffCoeffs(), OneDim::initTimeInteg(), MultiPhaseEquil::stepComposition(), Cantera::sum_xlogQ(), Cantera::sum_xlogx(), MixTransport::update_C(), MultiTransport::update_C(), and DustyGasTransport::updateTransport_C().

◆ npos

const size_t npos = static_cast<size_t>(-1)

index returned by functions to indicate "no position"

Definition at line 188 of file ct_defs.h.

Referenced by RedlichKisterVPSSTP::addBinaryInteraction(), Application::addDataDirectory(), VCS_SOLVE::addOnePhaseSpecies(), VCS_SOLVE::addPhaseElements(), InterfaceKinetics::addReaction(), Kinetics::addReaction(), IonsFromNeutralVPSSTP::addSpecies(), Phase::addSpecies(), Phase::addSpeciesAlias(), InterfaceKinetics::buildSurfaceArrhenius(), HMWSoln::calcMolalitiesCropped(), IonsFromNeutralVPSSTP::calcNeutralMoleculeMoleFractions(), BandMatrix::checkColumns(), Cantera::checkElectrochemReaction(), BandMatrix::checkRows(), XML_Node::child(), OneDim::component(), ConstPressureReactor::componentIndex(), FlowReactor::componentIndex(), IdealGasConstPressureReactor::componentIndex(), IdealGasReactor::componentIndex(), Reactor::componentIndex(), Cantera::ct2ctml(), IonGasTransport::electricalConductivity(), MultiPhase::elementIndex(), Phase::elementIndex(), ChemEquil::equilibrate(), ThermoPhase::equivalenceRatio(), MultiJac::eval(), OneDim::eval(), StFlow::eval(), Inlet1D::eval(), Symm1D::eval(), Outlet1D::eval(), OutletRes1D::eval(), Surf1D::eval(), ReactingSurf1D::eval(), StFlow::evalResidual(), ReactionPathDiagram::exportToDot(), MolalityVPSSTP::findCLMIndex(), Application::findInputFile(), XML_Reader::findQuotedString(), Phase::findSpeciesLower(), Cantera::findUnbackslashed(), IonFlow::fixElectricField(), AnyMap::fromYamlFile(), MultiPhaseEquil::getComponents(), Phase::getCompositionFromMap(), Cantera::getFloatArray(), Cantera::getMap(), Cantera::getMatrixValues(), IonsFromNeutralVPSSTP::getNeutralMoleculeMoleGrads(), Cantera::getPairs(), Cantera::importKinetics(), MultiPhase::init(), InterfaceKinetics::init(), IonGasTransport::init(), ChemEquil::initialize(), BinarySolutionTabulatedThermo::initThermo(), IonsFromNeutralVPSSTP::initThermo(), WaterSSTP::initThermo(), ThermoPhase::initThermoFile(), BinarySolutionTabulatedThermo::initThermoXML(), Cantera::installReactionArrays(), Kinetics::kineticsSpeciesIndex(), Kinetics::kineticsSpeciesName(), PDSS_HKFT::LookupGe(), Phase::massFraction(), LatticeSolidPhase::maxTemp(), MultiSpeciesThermo::maxTemp(), VPStandardStateTP::maxTemp(), LatticeSolidPhase::minTemp(), MultiSpeciesThermo::minTemp(), VPStandardStateTP::minTemp(), ThermoPhase::mixtureFraction(), Phase::moleFraction(), Cantera::newKinetics(), Cantera::newPhase(), ThermoPhase::o2Required(), FlowDevice::outletSpeciesMassFlowRate(), Cantera::parseCompString(), Cantera::parseSpeciesName(), XML_Reader::parseTag(), Kinetics::phaseIndex(), HMWSoln::readXMLBinarySalt(), RedlichKisterVPSSTP::readXMLBinarySpecies(), HMWSoln::readXMLLambdaNeutral(), HMWSoln::readXMLMunnnNeutral(), HMWSoln::readXMLPsi(), HMWSoln::readXMLTheta(), HMWSoln::readXMLZetaCation(), MultiSpeciesThermo::refPressure(), HMWSoln::relative_molal_enthalpy(), LatticeSolidPhase::resetHf298(), ThermoPhase::resetHf298(), OneDim::resize(), vcs_VolPhase::resize(), Inlet1D::restore(), OutletRes1D::restore(), ReactingSurf1D::restore(), StFlow::restore(), DebyeHuckel::setBeta(), RedlichKwongMFTP::setBinaryCoeffs(), ThermoPhase::setEquivalenceRatio(), Sim1D::setFixedTemperature(), ThermoPhase::setMixtureFraction(), MolalityVPSSTP::setMolalitiesByName(), vcs_VolPhase::setMolesFromVCS(), Mu0Poly::setParameters(), RedlichKwongMFTP::setSpeciesCoeffs(), Domain1D::setSteadyTolerances(), Domain1D::setTransientTolerances(), OneDim::solve(), MultiNewton::solve(), IonFlow::solveElectricField(), solveSP::solveSP(), Phase::species(), Phase::speciesIndex(), Reactor::speciesIndex(), MultiPhase::speciesIndex(), Kinetics::speciesPhase(), Kinetics::speciesPhaseIndex(), Cantera::split_at_pound(), OneDim::ssnorm(), MultiNewton::step(), ThermoPhase::stoichAirFuelRatio(), Unit::toSI(), vcs_VolPhase::transferElementsFM(), Units::Units(), InterfaceKinetics::updateKc(), StFlow::updateProperties(), VCS_SOLVE::vcs_basopt(), VCS_SOLVE::vcs_elcorr(), VCS_SOLVE::vcs_phaseStabilityTest(), VCS_SOLVE::vcs_popPhaseID(), VCS_SOLVE::vcs_RxnStepSizes(), and XML_Node::write_int().

Variables

Thermodynamic Equilibrium Constraints

Defined Constants

Measured Constants

Derived Constants