Class for the liquid water pressure dependent standard state. More...

#include <PDSS_Water.h>

Inheritance diagram for PDSS_Water:

Detailed Description

Class for the liquid water pressure dependent standard state.

Notes:

Base state for thermodynamic properties:

The thermodynamic base state for water is set to the NIST basis here by specifying constants EW_Offset and SW_Offset. These offsets are specified so that the following properties hold:

Delta_Hfo_gas(298.15) = -241.826 kJ/gmol So_gas(298.15, 1bar) = 188.835 J/gmolK

(http://webbook.nist.gov)

The "o" here refers to a hypothetical ideal gas state. The way we achieve this in practice is to evaluate at a very low pressure and then use the theoretical ideal gas results to scale up to higher pressures:

Ho(1bar) = H(P0)

So(1bar) = S(P0) + RT ln(1bar/P0)

The offsets used in the steam tables are different than NIST's. They assume u_liq(TP) = 0.0, s_liq(TP) = 0.0, where TP is the triple point conditions.

Definition at line 49 of file PDSS_Water.h.

Public Member Functions
	PDSS_Water ()
	Default constructor.

Molar Thermodynamic Properties of the Species Standard State
double	enthalpy_mole () const override
	Return the molar enthalpy in units of J kmol-1.

double	intEnergy_mole () const override
	Return the molar internal Energy in units of J kmol-1.

double	entropy_mole () const override
	Return the molar entropy in units of J kmol-1 K-1.

double	gibbs_mole () const override
	Return the molar Gibbs free energy in units of J kmol-1.

double	cp_mole () const override
	Return the molar const pressure heat capacity in units of J kmol-1 K-1.

double	cv_mole () const override
	Return the molar const volume heat capacity in units of J kmol-1 K-1.

double	molarVolume () const override
	Return the molar volume at standard state.

double	density () const override
	Return the standard state density at standard state.

Properties of the Reference State of the Species in the Solution
double	pref_safe (double temp) const
	Returns a reference pressure value that can be safely calculated by the underlying real equation of state for water.

double	gibbs_RT_ref () const override
	Return the molar Gibbs free energy divided by RT at reference pressure.

double	enthalpy_RT_ref () const override
	Return the molar enthalpy divided by RT at reference pressure.

double	entropy_R_ref () const override
	Return the molar entropy divided by R at reference pressure.

double	cp_R_ref () const override
	Return the molar heat capacity divided by R at reference pressure.

double	molarVolume_ref () const override
	Return the molar volume at reference pressure.

Mechanical Equation of State Properties
double	pressure () const override
	Returns the pressure (Pa)

void	setPressure (double pres) override
	Sets the pressure in the object.

void	setTemperature (double temp) override
	Set the internal temperature.

void	setState_TP (double temp, double pres) override
	Set the internal temperature and pressure.

void	setState_TR (double temp, double rho) override
	Set the internal temperature and density.

void	setDensity (double dens)
	Set the density of the water phase.

double	thermalExpansionCoeff () const override
	Return the volumetric thermal expansion coefficient. Units: 1/K.

double	dthermalExpansionCoeffdT () const
	Return the derivative of the volumetric thermal expansion coefficient.

double	isothermalCompressibility () const
	Returns the isothermal compressibility. Units: 1/Pa.

Miscellaneous properties of the standard state
double	critTemperature () const override
	critical temperature

double	critPressure () const override
	critical pressure

double	critDensity () const override
	critical density

double	satPressure (double t) override
	saturation pressure

WaterPropsIAPWS *	getWater ()
	Get a pointer to a changeable WaterPropsIAPWS object.

WaterProps *	getWaterProps ()
	Get a pointer to a changeable WaterPropsIAPWS object.

void	getParameters (AnyMap &eosNode) const override
	Store the parameters needed to reconstruct a copy of this PDSS object.

Public Member Functions inherited from PDSS_Molar
double	enthalpy_RT () const override
	Return the standard state molar enthalpy divided by RT.

double	entropy_R () const override
	Return the standard state entropy divided by RT.

double	gibbs_RT () const override
	Return the molar Gibbs free energy divided by RT.

double	cp_R () const override
	Return the molar const pressure heat capacity divided by RT.

Public Member Functions inherited from PDSS
virtual void	setTemperature (double temp)
	Set the internal temperature.

virtual double	temperature () const
	Return the current stored temperature.

virtual void	setState_TP (double temp, double pres)
	Set the internal temperature and pressure.

virtual void	setState_TR (double temp, double rho)
	Set the internal temperature and density.

virtual double	critTemperature () const
	critical temperature

virtual double	critPressure () const
	critical pressure

virtual double	critDensity () const
	critical density

virtual double	satPressure (double T)
	saturation pressure

double	molecularWeight () const
	Return the molecular weight of the species in units of kg kmol-1.

void	setMolecularWeight (double mw)
	Set the molecular weight of the species.

	PDSS ()=default
	Default Constructor.

	PDSS (const PDSS &b)=delete

PDSS &	operator= (const PDSS &b)=delete

virtual double	enthalpyDelp_mole () const
	Get the difference in the standard state enthalpy between the current pressure and the reference pressure, p0.

virtual double	entropyDelp_mole () const
	Get the difference in the standard state entropy between the current pressure and the reference pressure, p0.

virtual double	gibbsDelp_mole () const
	Get the difference in the standard state Gibbs free energy between the current pressure and the reference pressure, p0.

virtual double	cpDelp_mole () const
	Get the difference in standard state heat capacity between the current pressure and the reference pressure, p0.

double	refPressure () const
	Return the reference pressure for this phase.

double	minTemp () const
	return the minimum temperature

double	maxTemp () const
	return the minimum temperature

void	setReferenceThermo (shared_ptr< SpeciesThermoInterpType > stit)
	Set the SpeciesThermoInterpType object used to calculate reference state properties.

virtual void	setParent (VPStandardStateTP *phase, size_t k)
	Set the parent VPStandardStateTP object of this PDSS object.

virtual void	initThermo ()
	Initialization routine.

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.

virtual void	reportParams (size_t &kindex, int &type, double *const c, double &minTemp, double &maxTemp, double &refPressure) const
	This utility function reports back the type of parameterization and all of the parameters for the species, index.

Public Attributes
bool	m_allowGasPhase = false
	Since this phase represents a liquid phase, it's an error to return a gas-phase answer.

Private Attributes
WaterPropsIAPWS	m_sub
	Pointer to the WaterPropsIAPWS object, which does the actual calculations for the real equation of state.

WaterProps	m_waterProps
	Pointer to the WaterProps object.

double	m_dens
	State of the system - density.

int	m_iState = WATER_LIQUID
	state of the fluid

double	EW_Offset = 0.0
	Offset constants used to obtain consistency with the NIST database.

double	SW_Offset = 0.0
	Offset constant used to obtain consistency with NIST convention.

Additional Inherited Members
Protected Attributes inherited from PDSS
double	m_temp = -1.0
	Current temperature used by the PDSS object.

double	m_pres = -1.0
	State of the system - pressure.

double	m_p0 = -1.0
	Reference state pressure of the species.

double	m_minTemp = -1.0
	Minimum temperature.

double	m_maxTemp = 10000.0
	Maximum temperature.

double	m_mw = 0.0
	Molecular Weight of the species.

AnyMap	m_input
	Input data supplied via setParameters.

shared_ptr< SpeciesThermoInterpType >	m_spthermo
	Pointer to the species thermodynamic property manager.

Constructor & Destructor Documentation

◆ PDSS_Water()

PDSS_Water ( )

Default constructor.

Definition at line 16 of file PDSS_Water.cpp.

Member Function Documentation

◆ enthalpy_mole()

double enthalpy_mole ( ) const

overridevirtual

Return the molar enthalpy in units of J kmol-1.

Returns: the species standard state enthalpy in J kmol-1 at the current temperature and pressure.

Reimplemented from PDSS.

Definition at line 52 of file PDSS_Water.cpp.

◆ intEnergy_mole()

double intEnergy_mole ( ) const

overridevirtual

Return the molar internal Energy in units of J kmol-1.

Returns: The species standard state internal Energy in J kmol-1 at the current temperature and pressure.

Reimplemented from PDSS.

Definition at line 57 of file PDSS_Water.cpp.

◆ entropy_mole()

double entropy_mole ( ) const

overridevirtual

Return the molar entropy in units of J kmol-1 K-1.

Returns: The species standard state entropy in J kmol-1 K-1 at the current temperature and pressure.

Reimplemented from PDSS.

Definition at line 62 of file PDSS_Water.cpp.

◆ gibbs_mole()

double gibbs_mole ( ) const

overridevirtual

Return the molar Gibbs free energy in units of J kmol-1.

Returns: The species standard state Gibbs free energy in J kmol-1 at the current temperature and pressure.

Reimplemented from PDSS.

Definition at line 67 of file PDSS_Water.cpp.

◆ cp_mole()

double cp_mole ( ) const

overridevirtual

Return the molar const pressure heat capacity in units of J kmol-1 K-1.

Returns: The species standard state Cp in J kmol-1 K-1 at the current temperature and pressure.

Reimplemented from PDSS.

Definition at line 72 of file PDSS_Water.cpp.

◆ cv_mole()

double cv_mole ( ) const

overridevirtual

Return the molar const volume heat capacity in units of J kmol-1 K-1.

Returns: The species standard state Cv in J kmol-1 K-1 at the current temperature and pressure.

Reimplemented from PDSS.

Definition at line 77 of file PDSS_Water.cpp.

◆ molarVolume()

double molarVolume ( ) const

overridevirtual

Return the molar volume at standard state.

Returns: The standard state molar volume at the current temperature and pressure. Units are m**3 kmol-1.

Reimplemented from PDSS.

Definition at line 82 of file PDSS_Water.cpp.

◆ density()

double density ( ) const

overridevirtual

Return the standard state density at standard state.

Returns: The standard state density at the current temperature and pressure. units are kg m-3

Reimplemented from PDSS.

Definition at line 207 of file PDSS_Water.cpp.

◆ pref_safe()

double pref_safe ( double temp ) const

Returns a reference pressure value that can be safely calculated by the underlying real equation of state for water.

Note, this function is needed because trying to calculate a one atm value around the critical point will cause a crash

Parameters

temp	Temperature (Kelvin)

Definition at line 232 of file PDSS_Water.cpp.

◆ gibbs_RT_ref()

double gibbs_RT_ref ( ) const

overridevirtual

Return the molar Gibbs free energy divided by RT at reference pressure.

Returns: The reference state Gibbs free energy at the current temperature, divided by RT.

Reimplemented from PDSS.

Definition at line 87 of file PDSS_Water.cpp.

◆ enthalpy_RT_ref()

double enthalpy_RT_ref ( ) const

overridevirtual

Return the molar enthalpy divided by RT at reference pressure.

Returns: The species reference state enthalpy at the current temperature, divided by RT.

Reimplemented from PDSS.

Definition at line 95 of file PDSS_Water.cpp.

◆ entropy_R_ref()

double entropy_R_ref ( ) const

overridevirtual

Return the molar entropy divided by R at reference pressure.

Returns: The species reference state entropy at the current temperature, divided by R.

Reimplemented from PDSS.

Definition at line 103 of file PDSS_Water.cpp.

◆ cp_R_ref()

double cp_R_ref ( ) const

overridevirtual

Return the molar heat capacity divided by R at reference pressure.

Returns: The species reference state heat capacity divided by R at the current temperature.

Reimplemented from PDSS.

Definition at line 111 of file PDSS_Water.cpp.

◆ molarVolume_ref()

double molarVolume_ref ( ) const

overridevirtual

Return the molar volume at reference pressure.

Returns: The reference state molar volume. units are m**3 kmol-1.

Reimplemented from PDSS.

Definition at line 119 of file PDSS_Water.cpp.

◆ pressure()

double pressure ( ) const

overridevirtual

Returns the pressure (Pa)

Reimplemented from PDSS.

Definition at line 127 of file PDSS_Water.cpp.

◆ setPressure()

void setPressure ( double pres )

overridevirtual

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.

Parameters

pres	Pressure to be set (Pascal)

Reimplemented from PDSS.

Definition at line 133 of file PDSS_Water.cpp.

◆ setTemperature()

void setTemperature ( double temp )

overridevirtual

Set the internal temperature.

Parameters

temp	Temperature (Kelvin)

Reimplemented from PDSS.

Definition at line 212 of file PDSS_Water.cpp.

◆ setState_TP()

void setState_TP	(	double	temp,
		double	pres
	)

overridevirtual

Set the internal temperature and pressure.

Parameters

temp	Temperature (Kelvin)
pres	pressure (Pascals)

Reimplemented from PDSS.

Definition at line 218 of file PDSS_Water.cpp.

◆ setState_TR()

void setState_TR	(	double	temp,
		double	rho
	)

overridevirtual

Set the internal temperature and density.

Parameters

temp	Temperature (Kelvin)
rho	Density (kg m-3)

Deprecated:: To be removed after Cantera 3.0

Reimplemented from PDSS.

Definition at line 224 of file PDSS_Water.cpp.

◆ setDensity()

void setDensity ( double dens )

Set the density of the water phase.

This is a non-virtual function because it specific to this object.

Parameters

dens	Density of the water (kg/m3)

Definition at line 201 of file PDSS_Water.cpp.

◆ thermalExpansionCoeff()

double thermalExpansionCoeff ( ) const

overridevirtual

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 from PDSS.

Definition at line 160 of file PDSS_Water.cpp.

◆ dthermalExpansionCoeffdT()

double dthermalExpansionCoeffdT ( ) const

Return the derivative of the volumetric thermal expansion coefficient.

Units: 1/K2.

The thermal expansion coefficient is defined as

\[ \beta = \frac{1}{v}\left(\frac{\partial v}{\partial T}\right)_P \]

Definition at line 165 of file PDSS_Water.cpp.

◆ isothermalCompressibility()

double isothermalCompressibility ( ) const

Returns the isothermal compressibility. Units: 1/Pa.

The isothermal compressibility is defined as

\[ \kappa_T = -\frac{1}{v}\left(\frac{\partial v}{\partial P}\right)_T \]

or

\[ \kappa_T = \frac{1}{\rho}\left(\frac{\partial \rho}{\partial P}\right)_T \]

Definition at line 181 of file PDSS_Water.cpp.

◆ critTemperature()

double critTemperature ( ) const

overridevirtual

critical temperature

Reimplemented from PDSS.

Definition at line 186 of file PDSS_Water.cpp.

◆ critPressure()

double critPressure ( ) const

overridevirtual

critical pressure

Reimplemented from PDSS.

Definition at line 191 of file PDSS_Water.cpp.

◆ critDensity()

double critDensity ( ) const

overridevirtual

critical density

Reimplemented from PDSS.

Definition at line 196 of file PDSS_Water.cpp.

◆ satPressure()

double satPressure ( double T )

overridevirtual

saturation pressure

Parameters

T	Temperature (Kelvin)

Reimplemented from PDSS.

Definition at line 245 of file PDSS_Water.cpp.

◆ getWater()

WaterPropsIAPWS * getWater ( )

inline

Get a pointer to a changeable WaterPropsIAPWS object.

Definition at line 142 of file PDSS_Water.h.

◆ getWaterProps()

WaterProps * getWaterProps ( )

inline

Get a pointer to a changeable WaterPropsIAPWS object.

Definition at line 147 of file PDSS_Water.h.

◆ getParameters()

void getParameters ( AnyMap & eosNode ) const

overridevirtual

Store the parameters needed to reconstruct a copy of this PDSS object.

Reimplemented from PDSS.

Definition at line 253 of file PDSS_Water.cpp.

Member Data Documentation

◆ m_sub

WaterPropsIAPWS m_sub

mutableprivate

Pointer to the WaterPropsIAPWS object, which does the actual calculations for the real equation of state.

This object owns m_sub

Definition at line 161 of file PDSS_Water.h.

◆ m_waterProps

WaterProps m_waterProps

private

Pointer to the WaterProps object.

This class is used to house several approximation routines for properties of water.

This object owns m_waterProps, and the WaterPropsIAPWS object used by WaterProps is m_sub, which is defined above.

Definition at line 171 of file PDSS_Water.h.

◆ m_dens

double m_dens

private

State of the system - density.

Density is the independent variable here, but it's hidden behind the object's interface.

Definition at line 178 of file PDSS_Water.h.

◆ m_iState

int m_iState = WATER_LIQUID

private

state of the fluid

WATER_GAS
WATER_LIQUID
WATER_SUPERCRIT
WATER_UNSTABLELIQUID
WATER_UNSTABLEGAS

Definition at line 190 of file PDSS_Water.h.

◆ EW_Offset

double EW_Offset = 0.0

private

Offset constants used to obtain consistency with the NIST database.

This is added to all internal energy and enthalpy results. units = J kmol-1.

Definition at line 197 of file PDSS_Water.h.

◆ SW_Offset

double SW_Offset = 0.0

private

Offset constant used to obtain consistency with NIST convention.

This is added to all internal entropy results. units = J kmol-1 K-1.

Definition at line 204 of file PDSS_Water.h.

◆ m_allowGasPhase

bool m_allowGasPhase = false

Since this phase represents a liquid phase, it's an error to return a gas-phase answer.

However, if the below is true, then a gas-phase answer is allowed. This is used to check the thermodynamic consistency with ideal-gas thermo functions for example.

Definition at line 213 of file PDSS_Water.h.

The documentation for this class was generated from the following files:

Detailed Description

Public Member Functions

Public Attributes

Private Attributes

Additional Inherited Members

Constructor & Destructor Documentation

◆ PDSS_Water()

Member Function Documentation

◆ enthalpy_mole()

◆ intEnergy_mole()

◆ entropy_mole()

◆ gibbs_mole()

◆ cp_mole()

◆ cv_mole()

◆ molarVolume()

◆ density()

◆ pref_safe()

◆ gibbs_RT_ref()

◆ enthalpy_RT_ref()

◆ entropy_R_ref()

◆ cp_R_ref()

◆ molarVolume_ref()

◆ pressure()

◆ setPressure()

◆ setTemperature()

◆ setState_TP()

◆ setState_TR()

◆ setDensity()

◆ thermalExpansionCoeff()

◆ dthermalExpansionCoeffdT()

◆ isothermalCompressibility()

◆ critTemperature()

◆ critPressure()

◆ critDensity()

◆ satPressure()

◆ getWater()

◆ getWaterProps()

◆ getParameters()

Member Data Documentation

◆ m_sub

◆ m_waterProps

◆ m_dens

◆ m_iState

◆ EW_Offset

◆ SW_Offset

◆ m_allowGasPhase