Cantera
3.1.0a1
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Virtual base class for a species with a pressure dependent standard state. More...
#include <PDSS.h>
Virtual base class for a species with a pressure dependent standard state.
Virtual base class for calculation of the pressure dependent standard state for a single species
Class PDSS is the base class for a family of classes that compute properties of a set of species in their standard states at a range of temperatures and pressures. The independent variables for this object are temperature and pressure. The class may have a reference to a SpeciesThermoInterpType object which handles the calculation of the reference state temperature behavior of the species.
This class is analogous to the SpeciesThermoInterpType class, except that the standard state inherently incorporates the pressure dependence.
The class operates on a setState temperature and pressure basis. It only recalculates the standard state when the setState functions for temperature and pressure are called.
Public Member Functions | |
virtual void | setTemperature (double temp) |
Set the internal temperature. More... | |
virtual double | temperature () const |
Return the current stored temperature. More... | |
virtual void | setState_TP (double temp, double pres) |
Set the internal temperature and pressure. More... | |
virtual double | critTemperature () const |
critical temperature More... | |
virtual double | critPressure () const |
critical pressure More... | |
virtual double | critDensity () const |
critical density More... | |
virtual double | satPressure (double T) |
saturation pressure More... | |
double | molecularWeight () const |
Return the molecular weight of the species in units of kg kmol-1. More... | |
void | setMolecularWeight (double mw) |
Set the molecular weight of the species. More... | |
Constructors | |
PDSS ()=default | |
Default Constructor. More... | |
PDSS (const PDSS &b)=delete | |
PDSS & | operator= (const PDSS &b)=delete |
virtual | ~PDSS ()=default |
Molar Thermodynamic Properties of the Species Standard State | |
virtual double | enthalpy_mole () const |
Return the molar enthalpy in units of J kmol-1. More... | |
virtual double | enthalpy_RT () const |
Return the standard state molar enthalpy divided by RT. More... | |
virtual double | intEnergy_mole () const |
Return the molar internal Energy in units of J kmol-1. More... | |
virtual double | entropy_mole () const |
Return the molar entropy in units of J kmol-1 K-1. More... | |
virtual double | entropy_R () const |
Return the standard state entropy divided by RT. More... | |
virtual double | gibbs_mole () const |
Return the molar Gibbs free energy in units of J kmol-1. More... | |
virtual double | gibbs_RT () const |
Return the molar Gibbs free energy divided by RT. More... | |
virtual double | cp_mole () const |
Return the molar const pressure heat capacity in units of J kmol-1 K-1. More... | |
virtual double | cp_R () const |
Return the molar const pressure heat capacity divided by RT. More... | |
virtual double | cv_mole () const |
Return the molar const volume heat capacity in units of J kmol-1 K-1. More... | |
virtual double | molarVolume () const |
Return the molar volume at standard state. More... | |
virtual double | density () const |
Return the standard state density at standard state. More... | |
Properties of the Reference State of the Species in the Solution | |
double | refPressure () const |
Return the reference pressure for this phase. More... | |
double | minTemp () const |
return the minimum temperature More... | |
double | maxTemp () const |
return the minimum temperature More... | |
virtual double | gibbs_RT_ref () const |
Return the molar Gibbs free energy divided by RT at reference pressure. More... | |
virtual double | enthalpy_RT_ref () const |
Return the molar enthalpy divided by RT at reference pressure. More... | |
virtual double | entropy_R_ref () const |
Return the molar entropy divided by R at reference pressure. More... | |
virtual double | cp_R_ref () const |
Return the molar heat capacity divided by R at reference pressure. More... | |
virtual double | molarVolume_ref () const |
Return the molar volume at reference pressure. More... | |
Mechanical Equation of State Properties | |
virtual double | pressure () const |
Returns the pressure (Pa) More... | |
virtual void | setPressure (double pres) |
Sets the pressure in the object. More... | |
virtual double | thermalExpansionCoeff () const |
Return the volumetric thermal expansion coefficient. Units: 1/K. More... | |
Initialization of the Object | |
void | setReferenceThermo (shared_ptr< SpeciesThermoInterpType > stit) |
Set the SpeciesThermoInterpType object used to calculate reference state properties. More... | |
virtual void | setParent (VPStandardStateTP *phase, size_t k) |
Set the parent VPStandardStateTP object of this PDSS object. More... | |
virtual void | initThermo () |
Initialization routine. More... | |
void | setParameters (const AnyMap &node) |
Set model parameters from an AnyMap phase description, for example from the equation-of-state field of a species definition. More... | |
virtual void | getParameters (AnyMap &eosNode) const |
Store the parameters needed to reconstruct a copy of this PDSS object. More... | |
Protected Attributes | |
double | m_temp = -1.0 |
Current temperature used by the PDSS object. More... | |
double | m_pres = -1.0 |
State of the system - pressure. More... | |
double | m_p0 = -1.0 |
Reference state pressure of the species. More... | |
double | m_minTemp = -1.0 |
Minimum temperature. More... | |
double | m_maxTemp = 10000.0 |
Maximum temperature. More... | |
double | m_mw = 0.0 |
Molecular Weight of the species. More... | |
AnyMap | m_input |
Input data supplied via setParameters. More... | |
shared_ptr< SpeciesThermoInterpType > | m_spthermo |
Pointer to the species thermodynamic property manager. More... | |
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default |
Default Constructor.
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virtual |
Return the molar enthalpy in units of J kmol-1.
Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.
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Return the standard state molar enthalpy divided by RT.
Reimplemented in PDSS_Nondimensional, and PDSS_Molar.
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Return the molar internal Energy in units of J kmol-1.
Reimplemented in PDSS_Water, PDSS_SSVol, PDSS_HKFT, and PDSS_ConstVol.
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Return the molar entropy in units of J kmol-1 K-1.
Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.
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Return the standard state entropy divided by RT.
Reimplemented in PDSS_Nondimensional, and PDSS_Molar.
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Return the molar Gibbs free energy in units of J kmol-1.
Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.
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Return the molar Gibbs free energy divided by RT.
Reimplemented in PDSS_Nondimensional, and PDSS_Molar.
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Return the molar const pressure heat capacity in units of J kmol-1 K-1.
Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.
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Return the molar const pressure heat capacity divided by RT.
Reimplemented in PDSS_Nondimensional, and PDSS_Molar.
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Return the molar const volume heat capacity in units of J kmol-1 K-1.
Reimplemented in PDSS_Water, PDSS_SSVol, and PDSS_ConstVol.
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Return the molar volume at standard state.
Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.
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Return the standard state density at standard state.
Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.
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inline |
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inline |
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Return the molar Gibbs free energy divided by RT at reference pressure.
Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.
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Return the molar enthalpy divided by RT at reference pressure.
Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.
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Return the molar entropy divided by R at reference pressure.
Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.
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Return the molar heat capacity divided by R at reference pressure.
Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.
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Return the molar volume at reference pressure.
Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.
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Sets the pressure in the object.
Currently, this sets the pressure in the PDSS object. It is indeterminant what happens to the owning VPStandardStateTP object.
pres | Pressure to be set (Pascal) |
Reimplemented in PDSS_Water, PDSS_SSVol, and PDSS_ConstVol.
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Return the volumetric thermal expansion coefficient. Units: 1/K.
The thermal expansion coefficient is defined as
\[ \beta = \frac{1}{v}\left(\frac{\partial v}{\partial T}\right)_P \]
Reimplemented in PDSS_Water.
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Set the internal temperature.
temp | Temperature (Kelvin) |
Reimplemented in PDSS_Water, PDSS_SSVol, and PDSS_ConstVol.
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Set the internal temperature and pressure.
temp | Temperature (Kelvin) |
pres | pressure (Pascals) |
Reimplemented in PDSS_Water, PDSS_SSVol, PDSS_HKFT, and PDSS_ConstVol.
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saturation pressure
T | Temperature (Kelvin) |
Reimplemented in PDSS_Water, PDSS_SSVol, and PDSS_ConstVol.
double molecularWeight | ( | ) | const |
void setMolecularWeight | ( | double | mw | ) |
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Set the SpeciesThermoInterpType object used to calculate reference state properties.
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Initialization routine.
This is a cascading call, where each level should call the the parent level.
Reimplemented in PDSS_SSVol, PDSS_HKFT, and PDSS_ConstVol.
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inline |
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inlinevirtual |
Store the parameters needed to reconstruct a copy of this PDSS object.
Reimplemented in PDSS_Water, PDSS_SSVol, PDSS_HKFT, and PDSS_ConstVol.
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mutableprotected |
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mutableprotected |
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Input data supplied via setParameters.
This may include parameters for different phase models, which will be used when initThermo() is called.
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