yaeos__equilibria_equilibrium_state Module

Uses

- yaeos__constants

Derived Types

type, public :: EquilibriumState

Description of a two-phase equilibria state.

Components

Type	Visibility	Attributes		Name		Initial
real(kind=pr),	public		::	P			Pressure [bar]
real(kind=pr),	public		::	T			Temperature [K]
real(kind=pr),	public		::	Vx			Heavy-phase volume [L/mol]
real(kind=pr),	public		::	Vy			Light-phase volume [L/mol]
real(kind=pr),	public		::	beta			Mole fraction of light-phase
integer,	public		::	iters	=	0	Iterations needed to reach the state
character(len=14),	public		::	kind			Kind of point [“bubble”, “dew”, “liquid-liquid”, “split”]
real(kind=pr),	public,	allocatable	::	x(:)			Heavy-phase molar fractions
real(kind=pr),	public,	allocatable	::	y(:)			Light-phase molar fractions

Type-Bound Procedures

generic, public :: write (FORMATTED) => write
procedure, private, pass :: write => write_EquilibriumState

type, public :: MPEquilibriumState

Type to hold the state of a multiphase equilibrium calculation.

Components

Type	Visibility	Attributes		Name		Initial
real(kind=pr),	public		::	P			Pressure
real(kind=pr),	public		::	T			Temperature
real(kind=pr),	public,	allocatable	::	betas(:)			Mole fractions of each phase
character(len=14),	public		::	kind_w			Kind of the reference phase
character(len=14),	public,	allocatable	::	kinds_x(:)			Kinds of the main phases
integer,	public		::	np			Number of phases
real(kind=pr),	public,	allocatable	::	w(:)			Mole fractions of the reference phase
real(kind=pr),	public,	allocatable	::	x_l(:,:)			Mole fractions of the main phases
real(kind=pr),	public,	allocatable	::	z(:)			Global composition

Functions

public function MPEquilibriumState_from_X(nc, np, z, kinds_x, kind_w, X)

Function to create a MPEquilibriumState from the vector of variables X used in the multiphase generalized isopleths methods.

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nc	Number of components
integer,	intent(in)			::	np	Number of phases - 1
real(kind=pr),	intent(in)			::	z(nc)	Global composition
character(len=14),	intent(in)			::	kinds_x(np)	Kinds of the main phases
character(len=14),	intent(in)			::	kind_w	Kind of the reference phase
real(kind=pr),	intent(in)			::	X(nc*np+np+1+2)	Vector of variables. The first `nc*np` elements are the equilibrium constants for each phase and component, the next `np+1` elements are the mole fractions of the main phases ( $\beta^l$ ), and the last two elements are $\lnP$ and $\lnT$ .

Return Value type(MPEquilibriumState)

Subroutines

public subroutine write_EquilibriumState(eq, unit, iotype, v_list, iostat, iomsg)

Arguments

Type	Intent	Optional	Attributes		Name
class(EquilibriumState),	intent(in)			::	eq
integer,	intent(in)			::	unit
character(len=*),	intent(in)			::	iotype
integer,	intent(in)			::	v_list(:)
integer,	intent(out)			::	iostat
character(len=*),	intent(inout)			::	iomsg