Go to the documentation of this file.
26 VPStandardStateTP::VPStandardStateTP() :
43 for (
size_t k = 0; k <
m_kk; k++) {
44 muRT[k] *= 1.0 /
RT();
53 for (
size_t k = 0; k <
m_kk; k++) {
87 for (
size_t k = 0; k <
m_kk; k++) {
98 void VPStandardStateTP::getStandardVolumes(doublereal* vol)
const
103 const vector_fp& VPStandardStateTP::getStandardVolumes()
const
130 const vector_fp& VPStandardStateTP::Gibbs_RT_ref()
const
157 for (
size_t k = 0; k <
m_kk; k++) {
161 "No PDSS object for species {}", k);
187 m_Vss.push_back(0.0);
230 pdss->setParent(
this, k);
234 pdss->setReferenceThermo(spec.
thermo);
246 PDSS* VPStandardStateTP::providePDSS(
size_t k)
251 const PDSS* VPStandardStateTP::providePDSS(
size_t k)
const
265 for (
size_t k = 0; k <
m_kk; k++) {
doublereal m_Pcurrent
Current value of the pressure - state variable.
vector_fp m_Vss
Vector containing the species standard state volumes at T = m_tlast and P = m_plast.
virtual bool addSpecies(shared_ptr< Species > spec)
virtual void getEnthalpy_RT_ref(doublereal *hrt) const
virtual void setState_TP(doublereal T, doublereal pres)
Set the temperature and pressure at the same time.
vector_fp m_g0_RT
Vector containing the species reference Gibbs functions at T = m_tlast and P = p_ref.
virtual doublereal entropy_R_ref() const
Return the molar entropy divided by R at reference pressure.
virtual doublereal cp_R_ref() const
Return the molar heat capacity divided by R at reference pressure.
double m_minTemp
The minimum temperature at which data for all species is valid.
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...
vector_fp m_hss_RT
Vector containing the species Standard State enthalpies at T = m_tlast and P = m_plast.
vector_fp m_s0_R
Vector containing the species reference entropies at T = m_tlast and P = p_ref.
virtual void getChemPotentials_RT(doublereal *mu) const
Get the array of non-dimensional species chemical potentials.
virtual doublereal cp_R() const
Return the molar const pressure heat capacity divided by RT.
virtual double minTemp(size_t k=npos) const
Minimum temperature for which the thermodynamic data for the species or phase are valid.
virtual void setPressure(doublereal p)
Set the internally stored pressure (Pa) at constant temperature and composition.
virtual bool addSpecies(shared_ptr< Species > spec)
Add a Species to this Phase.
An error indicating that an unimplemented function has been called.
const double BigNumber
largest number to compare to inf.
virtual void setTemperature(const doublereal temp)
Set the internally stored temperature of the phase (K).
doublereal m_Plast_ss
The last pressure at which the Standard State thermodynamic properties were calculated at.
virtual void getEntropy_R(doublereal *sr) const
Get the array of nondimensional Entropy functions for the standard state species at the current T and...
virtual int standardStateConvention() const
This method returns the convention used in specification of the standard state, of which there are cu...
virtual doublereal entropy_R() const
Return the standard state entropy divided by RT.
virtual doublereal molarVolume_ref() const
Return the molar volume at reference pressure.
virtual void setState_TP(doublereal temp, doublereal pres)
Set the internal temperature and pressure.
std::vector< double > vector_fp
Turn on the use of stl vectors for the basic array type within cantera Vector of doubles.
vector_fp m_sss_R
Vector containing the species Standard State entropies at T = m_tlast and P = m_plast.
virtual void invalidateCache()
Invalidate any cached values which are normally updated only when a change in state is detected.
vector_fp m_cpss_R
Vector containing the species Standard State constant pressure heat capacities at T = m_tlast and P =...
virtual void getCp_R(doublereal *cpr) const
Get the nondimensional Heat Capacities at constant pressure for the species standard states at the cu...
size_t m_kk
Number of species in the phase.
doublereal molecularWeight(size_t k) const
Molecular weight of species k.
vector_fp m_h0_RT
Vector containing the species reference enthalpies at T = m_tlast and P = p_ref.
void installPDSS(size_t k, std::unique_ptr< PDSS > &&pdss)
Install a PDSS object for species k
vector_fp m_gss_RT
Vector containing the species Standard State Gibbs functions at T = m_tlast and P = m_plast.
virtual void getStandardVolumes_ref(doublereal *vol) const
Get the molar volumes of the species reference states at the current T and P_ref of the solution.
virtual void getCp_R_ref(doublereal *cprt) const
Returns the vector of nondimensional constant pressure heat capacities of the reference state at the ...
virtual void setTemperature(const doublereal temp)
Set the temperature of the phase.
virtual void getEntropy_R_ref(doublereal *er) const
Returns the vector of nondimensional entropies of the reference state at the current temperature of t...
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 doublereal molarVolume() const
Return the molar volume at standard state.
doublereal m_tlast
last value of the temperature processed by reference state
const double OneAtm
One atmosphere [Pa].
vector_fp m_cp0_R
Vector containing the species reference constant pressure heat capacities at T = m_tlast and P = p_re...
virtual void getGibbs_RT_ref(doublereal *grt) const
Returns the vector of nondimensional Gibbs Free Energies of the reference state at the current temper...
doublereal RT() const
Return the Gas Constant multiplied by the current temperature.
virtual void getEnthalpy_RT(doublereal *hrt) const
Get the nondimensional Enthalpy functions for the species at their standard states at the current T a...
std::string name
The name of the species.
virtual void invalidateCache()
Invalidate any cached values which are normally updated only when a change in state is detected.
doublereal temperature() const
Temperature (K).
virtual double maxTemp(size_t k=npos) const
Maximum temperature for which the thermodynamic data for the species are valid.
virtual void initThermo()
virtual doublereal enthalpy_RT_ref() const
Return the molar enthalpy divided by RT at reference pressure.
void scale(InputIter begin, InputIter end, OutputIter out, S scale_factor)
Multiply elements of an array by a scale factor.
MultiSpeciesThermo m_spthermo
Pointer to the calculation manager for species reference-state thermodynamic properties.
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 initThermo()
Initialization routine.
const int cSS_CONVENTION_VPSS
Standard state uses the molality convention.
virtual void getPureGibbs(doublereal *gpure) const
Get the Gibbs functions for the standard state of the species at the current T and P of the solution.
doublereal m_Tlast_ss
The last temperature at which the standard state thermodynamic properties were calculated at.
shared_ptr< SpeciesThermoInterpType > thermo
Thermodynamic data for the species.
virtual void getChemPotentials(doublereal *mu) const
Get the species chemical potentials. Units: J/kmol.
Contains data about a single chemical species.
virtual void calcDensity()
Calculate the density of the mixture using the partial molar volumes and mole fractions as input.
std::vector< std::unique_ptr< PDSS > > m_PDSS_storage
Storage for the PDSS objects for the species.
Base class for exceptions thrown by Cantera classes.
vector_fp m_V0
Vector containing the species reference molar volumes.
virtual void updateStandardStateThermo() const
Updates the standard state thermodynamic functions at the current T and P of the solution.
virtual void _updateStandardStateThermo() const
Updates the standard state thermodynamic functions at the current T and P of the solution.
double m_maxTemp
The maximum temperature at which data for all species is valid.
const size_t npos
index returned by functions to indicate "no position"
virtual void initThermo()
Initialize the ThermoPhase object after all species have been set up.
Virtual base class for a species with a pressure dependent standard state.
shared_ptr< Species > species(const std::string &name) const
Return the Species object for the named species.
Namespace for the Cantera kernel.
virtual void getStandardChemPotentials(doublereal *mu) const
Get the array of chemical potentials at unit activity for the species at their standard states at the...
virtual void install_STIT(size_t index, shared_ptr< SpeciesThermoInterpType > stit)
Install a new species thermodynamic property parameterization for one species.
virtual doublereal enthalpy_RT() const
Return the standard state molar enthalpy divided by RT.