teqp::algorithms::phase_equil::GeneralizedPhaseEquilibrium Class Reference

#include <phase_equil.hpp>

Classes
struct	CallResult
struct	UnpackedVariables

Public Member Functions
	GeneralizedPhaseEquilibrium (const AbstractModel &residmodel, const Eigen::ArrayXd &zbulk, const UnpackedVariables &init, const std::vector< std::shared_ptr< AbstractSpecification > > &specifications)
	A helper class for doing multi-phase phase equilibrium calculations with additional specification equations.
auto	attach_ideal_gas (const std::shared_ptr< const AbstractModel > &ptr)
auto	call (const Eigen::ArrayXd &x)
	Call the routines to build the vector of residuals and Jacobian and cache it internally.
auto	num_Jacobian (const Eigen::ArrayXd &x, const Eigen::ArrayXd &dx)

Public Attributes
const AbstractModel &	residptr
	The pointer for the residual portion of \(\alpha\).
std::optional< std::shared_ptr< const AbstractModel > >	idealgasptr
	The pointer for the ideal-gas portion of \(\alpha\).
const Eigen::ArrayXd	zbulk
	The bulk composition of the mixture.
const std::size_t	Ncomponents
	The number of components in each phase.
const std::size_t	Nphases
	The number of phases.
const std::size_t	Nindependent
	The number of independent variables to be solved for.
const std::vector< std::shared_ptr< AbstractSpecification > >	specifications
	The specification equations.
CallResult	res
	The internal buffer of residual vector and Jacobian (to minimize copies)

Detailed Description

Definition at line 304 of file phase_equil.hpp.

Constructor & Destructor Documentation

GeneralizedPhaseEquilibrium()

teqp::algorithms::phase_equil::GeneralizedPhaseEquilibrium::GeneralizedPhaseEquilibrium ( const AbstractModel & residmodel, const Eigen::ArrayXd & zbulk, const UnpackedVariables & init, const std::vector< std::shared_ptr< AbstractSpecification > > & specifications )

inline

A helper class for doing multi-phase phase equilibrium calculations with additional specification equations.

This general approach allows for a generic framework to handle multi-phase equilibrium. The number of phases and components are both arbitrary (within the memory available on the machine)

Parameters

residmodel	The AbstractModel for the residual portion of the Helmholtz energy
zbulk	The bulk molar fractions
init	The pack of the initial set of arguments
specifications	The two-element vector of specification equations

Definition at line 370 of file phase_equil.hpp.

Member Function Documentation

attach_ideal_gas()

auto teqp::algorithms::phase_equil::GeneralizedPhaseEquilibrium::attach_ideal_gas ( const std::shared_ptr< const AbstractModel > & ptr )

inline

Definition at line 388 of file phase_equil.hpp.

call()

auto teqp::algorithms::phase_equil::GeneralizedPhaseEquilibrium::call ( const Eigen::ArrayXd & x )

inline

Call the routines to build the vector of residuals and Jacobian and cache it internally.

Parameters

x	The array of independent variables, first T, then molar concentrations of each phase, in order, followed by the molar phase fractions

Definition at line 396 of file phase_equil.hpp.

num_Jacobian()

auto teqp::algorithms::phase_equil::GeneralizedPhaseEquilibrium::num_Jacobian ( const Eigen::ArrayXd & x, const Eigen::ArrayXd & dx )

inline

Definition at line 565 of file phase_equil.hpp.

Member Data Documentation

idealgasptr

std::optional<std::shared_ptr<const AbstractModel> > teqp::algorithms::phase_equil::GeneralizedPhaseEquilibrium::idealgasptr

The pointer for the ideal-gas portion of \(\alpha\).

Definition at line 350 of file phase_equil.hpp.

Ncomponents

const std::size_t teqp::algorithms::phase_equil::GeneralizedPhaseEquilibrium::Ncomponents

The number of components in each phase.

Definition at line 352 of file phase_equil.hpp.

Nindependent

const std::size_t teqp::algorithms::phase_equil::GeneralizedPhaseEquilibrium::Nindependent

The number of independent variables to be solved for.

Definition at line 354 of file phase_equil.hpp.

Nphases

const std::size_t teqp::algorithms::phase_equil::GeneralizedPhaseEquilibrium::Nphases

The number of phases.

Definition at line 353 of file phase_equil.hpp.

res

CallResult teqp::algorithms::phase_equil::GeneralizedPhaseEquilibrium::res

The internal buffer of residual vector and Jacobian (to minimize copies)

Definition at line 356 of file phase_equil.hpp.

residptr

const AbstractModel& teqp::algorithms::phase_equil::GeneralizedPhaseEquilibrium::residptr

The pointer for the residual portion of \(\alpha\).

Definition at line 349 of file phase_equil.hpp.

specifications

const std::vector<std::shared_ptr<AbstractSpecification> > teqp::algorithms::phase_equil::GeneralizedPhaseEquilibrium::specifications

The specification equations.

Definition at line 355 of file phase_equil.hpp.

zbulk

const Eigen::ArrayXd teqp::algorithms::phase_equil::GeneralizedPhaseEquilibrium::zbulk

The bulk composition of the mixture.

Definition at line 351 of file phase_equil.hpp.

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

• include/teqp/algorithms/phase_equil.hpp