Reaktoro  v2.1.1
A unified framework for modeling chemically reactive systems
CubicEOS Class Reference

Calculates thermodynamic properties of fluid phases based on a cubic equation of state model. More...

#include <CubicEOS.hpp>

Classes

struct  Args
 The arguments needed to construct a CubicEOS object. More...
 

Public Member Functions

 CubicEOS (const Args &args)
 Construct a CubicEOS instance.
 
 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 setModel (CubicEOSModel model) -> void
 Set the cubic equation of state model.
 
auto setInteractionParamsFunction (const CubicEOSInteractionParamsFn &func) -> void
 Set the function that calculates interaction parameters \(k_{ij}\) in \(a_{ij}=(1-k_{ij})(a_{i}a_{j})^{1/2}\). More...
 
auto compute (CubicEOSProps &props, real T, real P, ArrayXrConstRef x) -> void
 Compute the thermodynamic properties of the phase. More...
 

Detailed Description

Calculates thermodynamic properties of fluid phases based on a cubic equation of state model.

Member Function Documentation

◆ setInteractionParamsFunction()

auto setInteractionParamsFunction ( const CubicEOSInteractionParamsFn func) -> void

Set the function that calculates interaction parameters \(k_{ij}\) in \(a_{ij}=(1-k_{ij})(a_{i}a_{j})^{1/2}\).

See also
CubicEOSInteractionParamsFn, CubicEOSInteractionParams

◆ compute()

auto compute ( CubicEOSProps props,
real  T,
real  P,
ArrayXrConstRef  x 
) -> void

Compute the thermodynamic properties of the phase.

Parameters
[in]propsThe evaluated thermodynamic properties of the phase.
TThe temperature of the phase (in K)
PThe pressure of the phase (in Pa)
xThe mole fractions of the species in the phase (in mol/mol)

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