CubicEOS Class Reference

Defines a cubic equation of state and calculates thermodynamic properties of a fluid phase. More...

#include <CubicEOS.hpp>

Classes
struct	InteractionParamsResult
	Class to define or store Binary Interaction Parameters (BIPs) from a calculation or input. More...
struct	Params
	Parameters to be passed to the Cubic Equation of State. More...
struct	Result

Public Types
enum	Model { VanDerWaals, RedlichKwong, SoaveRedlichKwong, PengRobinson }
	Defines the enumeration of available cubic EOS models.
using	InteractionParamsFunction = std::function< InteractionParamsResult(const double &)>
	Function wrapper to calculate (temperature-dependent) binary interaction parameters.

Public Member Functions
	CubicEOS (unsigned nspecies, Params params)
	Construct a CubicEOS instance with given number of species. More...
	CubicEOS (const CubicEOS &other)
	Construct a copy of a CubicEOS instance.
virtual	~CubicEOS ()
	Destroy this CubicEOS instance.
auto	operator= (CubicEOS other) -> CubicEOS &
	Assign a CubicEOS instance to this.
auto	numSpecies () const -> unsigned
	Return the number of species in the phase.
auto	setModel (Model model) -> void
	Set the type of the cubic equation of state (default: PengRobinson). More...
auto	setPhaseAsLiquid () -> void
	Set the equation of state to compute properties for a liquid phase.
auto	setPhaseAsVapor () -> void
	Set the equation of state to compute properties for a vapor phase.
auto	setCriticalTemperatures (const std::vector< double > &values) -> void
	Set the critical temperatures of the species (in units of K).
auto	setCriticalPressures (const std::vector< double > &values) -> void
	Set the critical pressures of the species (in units of Pa).
auto	setAcentricFactors (const std::vector< double > &values) -> void
	Set the acentric factors of the species.
auto	setInteractionParamsFunction (const InteractionParamsFunction &func) -> void
	Set the function that calculates the interaction parameters kij (k) and its temperature derivatives (kT and kTT). More...
auto	operator() (const ThermoScalar &T, const ThermoScalar &P, const ChemicalVector &x) -> Result
	Calculate the thermodynamic properties of the phase. More...

Detailed Description

Defines a cubic equation of state and calculates thermodynamic properties of a fluid phase.

Constructor & Destructor Documentation

CubicEOS()

CubicEOS ( unsigned  nspecies, CubicEOS::Params  params  )

explicit

Construct a CubicEOS instance with given number of species.

Parameters

nspecies

The number of species in the phase.

Member Function Documentation

setModel()

auto setModel

(

Model

model

)

-> void

Set the type of the cubic equation of state (default: PengRobinson).

See also

Model

setInteractionParamsFunction()

auto setInteractionParamsFunction

(

const InteractionParamsFunction &

func

)

-> void

Set the function that calculates the interaction parameters kij (k) and its temperature derivatives (kT and kTT).

Parameters

func	A wrapper function to calculate the BIPs matrices

See also

InteractionParamFunction, InteractionParamArgs, InteractionParamResult

operator()()

auto operator()	(	const ThermoScalar &	T,
		const ThermoScalar &	P,
		const ChemicalVector &	x
	)		-> Result

Calculate the thermodynamic properties of the phase.

Parameters

T	The temperature of the phase (in units of K)
P	The pressure of the phase (in units of Pa)
x	The mole fractions of the species in the phase (in units of mol/mol)

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

• Reaktoro/Thermodynamics/EOS/CubicEOS.hpp
• Reaktoro/Thermodynamics/EOS/CubicEOS.cpp