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

#include <PDSS_Water.h>

Inheritance diagram for PDSS_Water:

Collaboration diagram for PDSS_Water:

Public Member Functions
	PDSS_Water ()
	Default constructor. More...

Molar Thermodynamic Properties of the Species Standard State in the Solution
virtual doublereal	enthalpy_mole () const
	Return the molar enthalpy in units of J kmol-1. More...

virtual doublereal	intEnergy_mole () const
	Return the molar internal Energy in units of J kmol-1. More...

virtual doublereal	entropy_mole () const
	Return the molar entropy in units of J kmol-1 K-1. More...

virtual doublereal	gibbs_mole () const
	Return the molar Gibbs free energy in units of J kmol-1. More...

virtual doublereal	cp_mole () const
	Return the molar const pressure heat capacity in units of J kmol-1 K-1. More...

virtual doublereal	cv_mole () const
	Return the molar const volume heat capacity in units of J kmol-1 K-1. More...

virtual doublereal	molarVolume () const
	Return the molar volume at standard state. More...

virtual doublereal	density () const
	Return the standard state density at standard state. More...

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

virtual doublereal	gibbs_RT_ref () const
	Return the molar Gibbs free energy divided by RT at reference pressure. More...

virtual doublereal	enthalpy_RT_ref () const
	Return the molar enthalpy divided by RT at reference pressure. More...

virtual doublereal	entropy_R_ref () const
	Return the molar entropy divided by R at reference pressure. More...

virtual doublereal	cp_R_ref () const
	Return the molar heat capacity divided by R at reference pressure. More...

virtual doublereal	molarVolume_ref () const
	Return the molar volume at reference pressure. More...

Mechanical Equation of State Properties
virtual doublereal	pressure () const
	Returns the pressure (Pa) More...

virtual void	setPressure (doublereal pres)
	Sets the pressure in the object. More...

virtual void	setTemperature (doublereal temp)
	Set the internal temperature. More...

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

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

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

virtual doublereal	thermalExpansionCoeff () const
	Return the volumetric thermal expansion coefficient. Units: 1/K. More...

virtual doublereal	dthermalExpansionCoeffdT () const
	Return the derivative of the volumetric thermal expansion coefficient. More...

virtual doublereal	isothermalCompressibility () const
	Returns the isothermal compressibility. Units: 1/Pa. More...

Miscellaneous properties of the standard state
virtual doublereal	critTemperature () const
	critical temperature More...

virtual doublereal	critPressure () const
	critical pressure More...

virtual doublereal	critDensity () const
	critical density More...

virtual doublereal	satPressure (doublereal t)
	saturation pressure More...

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

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

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

virtual doublereal	entropy_R () const
	Return the standard state entropy divided by RT. More...

virtual doublereal	gibbs_RT () const
	Return the molar Gibbs free energy divided by RT. More...

virtual doublereal	cp_R () const
	Return the molar const pressure heat capacity divided by RT. More...

Public Member Functions inherited from PDSS
	PDSS ()
	Default Constructor. More...

	PDSS (const PDSS &b)=delete

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

virtual	~PDSS ()

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

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

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

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

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

doublereal	minTemp () const
	return the minimum temperature More...

doublereal	maxTemp () const
	return the minimum temperature More...

virtual doublereal	temperature () const
	Return the current stored temperature. More...

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

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

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, e.g. More...

virtual void	setParametersFromXML (const XML_Node &speciesNode)
	Initialization routine for the PDSS object based on the speciesNode. More...

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

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

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

WaterProps	m_waterProps
	Pointer to the WaterProps object. More...

doublereal	m_dens
	State of the system - density. More...

int	m_iState
	state of the fluid More...

doublereal	EW_Offset
	Offset constants used to obtain consistency with the NIST database. More...

doublereal	SW_Offset
	Offset constant used to obtain consistency with NIST convention. More...

Additional Inherited Members
Protected Attributes inherited from PDSS
doublereal	m_temp
	Current temperature used by the PDSS object. More...

doublereal	m_pres
	State of the system - pressure. More...

doublereal	m_p0
	Reference state pressure of the species. More...

doublereal	m_minTemp
	Minimum temperature. More...

doublereal	m_maxTemp
	Maximum temperature. More...

doublereal	m_mw
	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...

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.

Constructor & Destructor Documentation

◆ PDSS_Water()

PDSS_Water ( )

Default constructor.

Definition at line 16 of file PDSS_Water.cpp.

Member Function Documentation

◆ enthalpy_mole()

doublereal enthalpy_mole ( ) const

virtual

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 57 of file PDSS_Water.cpp.

References WaterPropsIAPWS::enthalpy(), PDSS_Water::EW_Offset, and PDSS_Water::m_sub.

◆ intEnergy_mole()

doublereal intEnergy_mole ( ) const

virtual

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 62 of file PDSS_Water.cpp.

References PDSS_Water::EW_Offset, WaterPropsIAPWS::intEnergy(), and PDSS_Water::m_sub.

◆ entropy_mole()

doublereal entropy_mole ( ) const

virtual

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 67 of file PDSS_Water.cpp.

References WaterPropsIAPWS::entropy(), PDSS_Water::m_sub, and PDSS_Water::SW_Offset.

◆ gibbs_mole()

doublereal gibbs_mole ( ) const

virtual

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 72 of file PDSS_Water.cpp.

References PDSS_Water::EW_Offset, WaterPropsIAPWS::Gibbs(), PDSS_Water::m_sub, PDSS::m_temp, and PDSS_Water::SW_Offset.

◆ cp_mole()

doublereal cp_mole ( ) const

virtual

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 77 of file PDSS_Water.cpp.

References WaterPropsIAPWS::cp(), and PDSS_Water::m_sub.

◆ cv_mole()

doublereal cv_mole ( ) const

virtual

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 82 of file PDSS_Water.cpp.

References WaterPropsIAPWS::cv(), and PDSS_Water::m_sub.

◆ molarVolume()

doublereal molarVolume ( ) const

virtual

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 87 of file PDSS_Water.cpp.

References PDSS_Water::m_sub, and WaterPropsIAPWS::molarVolume().

◆ density()

doublereal density ( ) const

virtual

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 217 of file PDSS_Water.cpp.

References PDSS_Water::m_dens.

Referenced by DebyeHuckel::calcDensity(), PDSS_HKFT::g(), and PDSS_HKFT::initThermo().

◆ pref_safe()

doublereal pref_safe ( doublereal 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 241 of file PDSS_Water.cpp.

References PDSS_Water::m_sub, Cantera::OneAtm, WaterPropsIAPWS::Pcrit(), WaterPropsIAPWS::psat_est(), and WaterPropsIAPWS::Tcrit().

Referenced by PDSS_HKFT::cp_R_ref(), PDSS_HKFT::enthalpy_RT_ref(), PDSS_HKFT::entropy_R_ref(), PDSS_HKFT::gibbs_RT_ref(), and PDSS_HKFT::molarVolume_ref().

◆ gibbs_RT_ref()

doublereal gibbs_RT_ref ( ) const

virtual

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 92 of file PDSS_Water.cpp.

◆ enthalpy_RT_ref()

doublereal enthalpy_RT_ref ( ) const

virtual

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 101 of file PDSS_Water.cpp.

◆ entropy_R_ref()

doublereal entropy_R_ref ( ) const

virtual

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 110 of file PDSS_Water.cpp.

◆ cp_R_ref()

doublereal cp_R_ref ( ) const

virtual

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 119 of file PDSS_Water.cpp.

◆ molarVolume_ref()

doublereal molarVolume_ref ( ) const

virtual

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 128 of file PDSS_Water.cpp.

◆ pressure()

doublereal pressure ( ) const

virtual

Returns the pressure (Pa)

Reimplemented from PDSS.

Definition at line 137 of file PDSS_Water.cpp.

References PDSS::m_pres, PDSS_Water::m_sub, and WaterPropsIAPWS::pressure().

Referenced by PDSS_Water::dthermalExpansionCoeffdT().

◆ setPressure()

void setPressure ( doublereal pres )

virtual

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 143 of file PDSS_Water.cpp.

Referenced by PDSS_Water::setState_TP().

◆ setTemperature()

void setTemperature ( doublereal temp )

virtual

Set the internal temperature.

Parameters

temp	Temperature (Kelvin)

Reimplemented from PDSS.

Definition at line 222 of file PDSS_Water.cpp.

References PDSS_Water::m_dens, PDSS_Water::m_sub, PDSS::m_temp, and WaterPropsIAPWS::setState_TR().

◆ setState_TP()

void setState_TP	(	doublereal	temp,
		doublereal	pres
	)

virtual

Set the internal temperature and pressure.

Parameters

temp	Temperature (Kelvin)
pres	pressure (Pascals)

Reimplemented from PDSS.

Definition at line 228 of file PDSS_Water.cpp.

References PDSS::m_temp, and PDSS_Water::setPressure().

Referenced by PDSS_HKFT::g(), and PDSS_HKFT::initThermo().

◆ setState_TR()

void setState_TR	(	doublereal	temp,
		doublereal	rho
	)

virtual

Set the internal temperature and density.

Parameters

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

Reimplemented from PDSS.

Definition at line 234 of file PDSS_Water.cpp.

References PDSS_Water::m_dens, PDSS_Water::m_sub, PDSS::m_temp, and WaterPropsIAPWS::setState_TR().

◆ setDensity()

void setDensity ( doublereal 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 211 of file PDSS_Water.cpp.

References PDSS_Water::m_dens, PDSS_Water::m_sub, PDSS::m_temp, and WaterPropsIAPWS::setState_TR().

◆ thermalExpansionCoeff()

doublereal thermalExpansionCoeff ( ) const

virtual

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 170 of file PDSS_Water.cpp.

References WaterPropsIAPWS::coeffThermExp(), and PDSS_Water::m_sub.

◆ dthermalExpansionCoeffdT()

doublereal dthermalExpansionCoeffdT ( ) const

virtual

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 175 of file PDSS_Water.cpp.

References WaterPropsIAPWS::coeffThermExp(), WaterPropsIAPWS::density(), PDSS_Water::m_dens, PDSS_Water::m_iState, PDSS_Water::m_sub, PDSS::m_temp, PDSS_Water::pressure(), and WaterPropsIAPWS::setState_TR().

◆ isothermalCompressibility()

doublereal isothermalCompressibility ( ) const

virtual

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 191 of file PDSS_Water.cpp.

References WaterPropsIAPWS::isothermalCompressibility(), and PDSS_Water::m_sub.

◆ critTemperature()

doublereal critTemperature ( ) const

virtual

critical temperature

Reimplemented from PDSS.

Definition at line 196 of file PDSS_Water.cpp.

References PDSS_Water::m_sub, and WaterPropsIAPWS::Tcrit().

◆ critPressure()

doublereal critPressure ( ) const

virtual

critical pressure

Reimplemented from PDSS.

Definition at line 201 of file PDSS_Water.cpp.

References PDSS_Water::m_sub, and WaterPropsIAPWS::Pcrit().

◆ critDensity()

doublereal critDensity ( ) const

virtual

critical density

Reimplemented from PDSS.

Definition at line 206 of file PDSS_Water.cpp.

References PDSS_Water::m_sub, and WaterPropsIAPWS::Rhocrit().

◆ satPressure()

doublereal satPressure ( doublereal T )

virtual

saturation pressure

Parameters

T	Temperature (Kelvin)

Reimplemented from PDSS.

Definition at line 254 of file PDSS_Water.cpp.

References PDSS_Water::m_sub, and WaterPropsIAPWS::psat().

◆ getWater()

WaterPropsIAPWS* getWater ( )

inline

Get a pointer to a changeable WaterPropsIAPWS object.

Definition at line 142 of file PDSS_Water.h.

References PDSS_Water::m_sub.

Referenced by WaterProps::WaterProps().

◆ getWaterProps()

WaterProps* getWaterProps ( )

inline

Get a pointer to a changeable WaterPropsIAPWS object.

Definition at line 147 of file PDSS_Water.h.

References PDSS_Water::m_waterProps.

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 159 of file PDSS_Water.h.

Referenced by PDSS_Water::cp_mole(), PDSS_Water::critDensity(), PDSS_Water::critPressure(), PDSS_Water::critTemperature(), PDSS_Water::cv_mole(), PDSS_Water::dthermalExpansionCoeffdT(), PDSS_Water::enthalpy_mole(), PDSS_Water::entropy_mole(), PDSS_Water::getWater(), PDSS_Water::gibbs_mole(), PDSS_Water::intEnergy_mole(), PDSS_Water::isothermalCompressibility(), PDSS_Water::molarVolume(), PDSS_Water::pref_safe(), PDSS_Water::pressure(), PDSS_Water::satPressure(), PDSS_Water::setDensity(), PDSS_Water::setState_TR(), PDSS_Water::setTemperature(), and PDSS_Water::thermalExpansionCoeff().

◆ 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 169 of file PDSS_Water.h.

Referenced by PDSS_Water::getWaterProps().

◆ m_dens

doublereal 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 176 of file PDSS_Water.h.

Referenced by PDSS_Water::density(), PDSS_Water::dthermalExpansionCoeffdT(), PDSS_Water::setDensity(), PDSS_Water::setState_TR(), and PDSS_Water::setTemperature().

◆ m_iState

int m_iState

private

state of the fluid

WATER_GAS
WATER_LIQUID
WATER_SUPERCRIT
WATER_UNSTABLELIQUID
WATER_UNSTABLEGAS

Definition at line 188 of file PDSS_Water.h.

Referenced by PDSS_Water::dthermalExpansionCoeffdT().

◆ EW_Offset

doublereal EW_Offset

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 195 of file PDSS_Water.h.

Referenced by PDSS_Water::enthalpy_mole(), PDSS_Water::gibbs_mole(), and PDSS_Water::intEnergy_mole().

◆ SW_Offset

doublereal SW_Offset

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 202 of file PDSS_Water.h.

Referenced by PDSS_Water::entropy_mole(), and PDSS_Water::gibbs_mole().

◆ m_allowGasPhase

bool m_allowGasPhase

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 211 of file PDSS_Water.h.

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

Public Member Functions

Public Attributes

Private Attributes

Additional Inherited Members

Detailed Description

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()

Member Data Documentation

◆ m_sub

◆ m_waterProps

◆ m_dens

◆ m_iState

◆ EW_Offset

◆ SW_Offset

◆ m_allowGasPhase