EquationOfState Struct Reference

Represents the equation of state for fluid mixtures in the simulation. More...

Public Types
enum class	Type : int { PengRobinson = 0 , PengRobinsonGasem = 1 , SoaveRedlichKwong = 2 }
	Enumeration of supported equations of state. More...
enum class	MultiComponentMixingRules : int { VanDerWaals = 0 }
	Enumeration of mixing rules for multi-component systems. More...
enum class	FluidState : int {   Unknown = 0 , SuperCriticalFluid = 1 , Vapor = 2 , Liquid = 3 ,   VaporLiquid = 4 }
	Enumeration of possible fluid states. More...

Public Member Functions
	EquationOfState ()=default
	Default constructor for the EquationOfState struct.
	EquationOfState (EquationOfState::Type type, EquationOfState::MultiComponentMixingRules multiComponentMixingRules, double temperature, double pressure, const SimulationBox &simulationBox, double heliumVoidFraction, std::vector< Component > &components)
	Constructs an EquationOfState with specified parameters.
void	computeComponentFluidProperties (EquationOfState::Type equationOfState, EquationOfState::MultiComponentMixingRules multiComponentMixingRules, double temperature, double pressure, const SimulationBox &simulationBox, double heliumVoidFraction, std::vector< Component > &components)
	Computes the fluid properties for each component in the mixture.

Public Attributes
std::uint64_t	versionNumber {1}
	Version number for serialization.
EquationOfState::FluidState	fluidState {EquationOfState::FluidState::Unknown}
	Current fluid state.
EquationOfState::Type	equationOfState {EquationOfState::Type::PengRobinson}
	Type of equation of state used.
EquationOfState::MultiComponentMixingRules	multiComponentMixingRules
	Mixing rules for multi-component systems.

Friends
Archive< std::ofstream > &	operator<< (Archive< std::ofstream > &archive, const EquationOfState &s)
	Serializes the EquationOfState object to an output archive.
Archive< std::ifstream > &	operator>> (Archive< std::ifstream > &archive, EquationOfState &s)
	Deserializes the EquationOfState object from an input archive.

Detailed Description

Represents the equation of state for fluid mixtures in the simulation.

The EquationOfState struct encapsulates the properties and behaviors associated with computing the thermodynamic properties of fluid mixtures based on different equations of state. It supports various types of equations of state, mixing rules for multi-component systems, and fluid states. The struct provides methods to compute component fluid properties and supports serialization through friend operators.

Member Enumeration Documentation

FluidState

enum class EquationOfState::FluidState : int

strong

Enumeration of possible fluid states.

Enumerator
Unknown	Fluid state is unknown.
SuperCriticalFluid	Supercritical fluid state.
Vapor	Vapor state.
Liquid	Liquid state.
VaporLiquid	Vapor-liquid coexistence.

MultiComponentMixingRules

enum class EquationOfState::MultiComponentMixingRules : int

strong

Enumeration of mixing rules for multi-component systems.

Enumerator
VanDerWaals	van der Waals mixing rules.

Type

enum class EquationOfState::Type : int

strong

Enumeration of supported equations of state.

Enumerator
PengRobinson	Peng-Robinson equation of state.
PengRobinsonGasem	Peng-Robinson-Gasem equation of state.
SoaveRedlichKwong	Soave-Redlich-Kwong equation of state.

Constructor & Destructor Documentation

EquationOfState() [1/2]

EquationOfState::EquationOfState ( )

default

Default constructor for the EquationOfState struct.

Initializes an EquationOfState object with default values.

EquationOfState() [2/2]

EquationOfState::EquationOfState	(	EquationOfState::Type	type,
		EquationOfState::MultiComponentMixingRules	multiComponentMixingRules,
		double	temperature,
		double	pressure,
		const SimulationBox &	simulationBox,
		double	heliumVoidFraction,
		std::vector< Component > &	components
	)

Constructs an EquationOfState with specified parameters.

Initializes an EquationOfState object and computes the fluid properties for the given components based on the specified equation of state and mixing rules.

Parameters

type	The type of equation of state to use.
multiComponentMixingRules	The mixing rules for multi-component systems.
temperature	The temperature of the system in Kelvin.
pressure	The pressure of the system in Pascal.
simulationBox	The simulation box containing the system dimensions.
heliumVoidFraction	The fraction of void space occupied by helium.
components	The components present in the fluid mixture.

Member Function Documentation

computeComponentFluidProperties()

void EquationOfState::computeComponentFluidProperties	(	EquationOfState::Type	equationOfState,
		EquationOfState::MultiComponentMixingRules	multiComponentMixingRules,
		double	temperature,
		double	pressure,
		const SimulationBox &	simulationBox,
		double	heliumVoidFraction,
		std::vector< Component > &	components
	)

Computes the fluid properties for each component in the mixture.

Calculates various thermodynamic properties such as fugacity coefficients, amount of excess molecules, bulk fluid density, and compressibility factors for the components based on the specified equation of state and mixing rules.

Parameters

equationOfState	The type of equation of state to use.
multiComponentMixingRules	The mixing rules for multi-component systems.
temperature	The temperature of the system in Kelvin.
pressure	The pressure of the system in Pascal.
simulationBox	The simulation box containing the system dimensions.
heliumVoidFraction	The fraction of void space occupied by helium.
components	The components present in the fluid mixture.

Friends And Related Symbol Documentation

operator<<

Archive< std::ofstream > & operator<< ( Archive< std::ofstream > &  archive, const EquationOfState &  s  )

friend

Serializes the EquationOfState object to an output archive.

Parameters

archive	The output archive to serialize to.
s	The EquationOfState object to serialize.

Returns

Reference to the output archive.

operator>>

Archive< std::ifstream > & operator>> ( Archive< std::ifstream > &  archive, EquationOfState &  s  )

friend

Deserializes the EquationOfState object from an input archive.

Parameters

archive	The input archive to deserialize from.
s	The EquationOfState object to deserialize into.

Returns

Reference to the input archive.

Member Data Documentation

multiComponentMixingRules

EquationOfState::MultiComponentMixingRules EquationOfState::multiComponentMixingRules

Initial value:

{
      EquationOfState::MultiComponentMixingRules::VanDerWaals}

Mixing rules for multi-component systems.

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The documentation for this struct was generated from the following file:

• src/raspakit/equation_of_states.ixx