yaeos__equilibria_boundaries_phase_envelopes_pt3 Module

Uses

Variables

Type	Visibility	Attributes		Name		Initial
real(kind=pr),	public,	parameter	::	lnK_min	=	2.0_pr

Derived Types

type, public :: PTEnvel3

Components

Type	Visibility	Attributes		Name		Initial
real(kind=pr),	public,	allocatable	::	P(:)
real(kind=pr),	public,	allocatable	::	S(:)
real(kind=pr),	public,	allocatable	::	T(:)
real(kind=pr),	public,	allocatable	::	beta(:)			Mole fraction between phase x and phase y
integer,	public,	allocatable	::	ns(:)
real(kind=pr),	public,	allocatable	::	w(:,:)			Mole fraction of phase x
real(kind=pr),	public,	allocatable	::	x(:,:)			Mole fraction of phase x
real(kind=pr),	public,	allocatable	::	y(:,:)			Mole fraction of phase x

Functions

public function critical_interpol(Xnew, Xold, idx) result(a)

Critical point interpolation

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=pr),	intent(in)			::	Xnew(:)	New value of the variables
real(kind=pr),	intent(in)			::	Xold(:)	Old value of the variables
integer,	intent(in)			::	idx(:)	Index of the variables to interpolate

Return Value real(kind=pr)

public function pt_envelope_3ph(model, z, x0, y0, w0, beta0, P0, T0, ns0, dS0, points) result(envelope)

Arguments

Type	Intent	Optional	Attributes		Name
class(ArModel),	intent(in)			::	model
real(kind=pr),	intent(in)			::	z(:)
real(kind=pr),	intent(in)			::	x0(:)
real(kind=pr),	intent(in)			::	y0(:)
real(kind=pr),	intent(in)			::	w0(:)
real(kind=pr),	intent(in)			::	beta0
real(kind=pr),	intent(in)			::	P0
real(kind=pr),	intent(in)			::	T0
integer,	intent(in)			::	ns0
real(kind=pr),	intent(in)			::	dS0
integer,	intent(in)			::	points

Return Value type(PTEnvel3)

Subroutines

public subroutine detect_critical(X, dXdS, ns, S, dS)

Critical point detection

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=pr),	intent(inout)			::	X(:)	Vector of variables
real(kind=pr),	intent(inout)			::	dXdS(:)	Variation of variables wrt S
integer,	intent(inout)			::	ns	Number of specified variable
real(kind=pr),	intent(inout)			::	S	Specification value
real(kind=pr),	intent(inout)			::	dS	Step in specification

public subroutine get_values_from_X(z, Xvars, x, y, w, P, T, beta)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=pr),	intent(in)			::	z(:)
real(kind=pr),	intent(in)			::	Xvars(size(z)*2+3)
real(kind=pr),	intent(out)			::	x(size(z))
real(kind=pr),	intent(out)			::	y(size(z))
real(kind=pr),	intent(out)			::	w(size(z))
real(kind=pr),	intent(out)			::	P
real(kind=pr),	intent(out)			::	T
real(kind=pr),	intent(out)			::	beta

public subroutine pt_F_three_phases(model, z, Xvars, ns, S, F, df)

Function to solve at each point of a three phase envelope.

Arguments

Type	Intent	Optional	Attributes		Name
class(ArModel),	intent(in)			::	model
real(kind=pr),	intent(in)			::	z(:)
real(kind=pr),	intent(in)			::	Xvars(:)	Vector of variables
integer,	intent(in)			::	ns	Number of specification
real(kind=pr),	intent(in)			::	S	Specification value
real(kind=pr),	intent(out)			::	F(size(Xvars))	Vector of functions valuated
real(kind=pr),	intent(out)			::	df(size(Xvars),size(Xvars))	Jacobian matrix

public subroutine solve_point(model, z, ns, S, X, F, dF, its, maxits)

Arguments

Type	Intent	Optional	Attributes		Name
class(ArModel),	intent(in)			::	model
real(kind=pr),	intent(in)			::	z(:)
integer,	intent(in)			::	ns
real(kind=pr),	intent(in)			::	S
real(kind=pr),	intent(inout)			::	X(:)
real(kind=pr),	intent(out)			::	F(:)
real(kind=pr),	intent(out)			::	dF(:,:)
integer,	intent(inout)			::	its
integer,	intent(in)			::	maxits

public subroutine update_specification(its, X, dF, dXdS, ns, dS)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	its
real(kind=pr),	intent(inout)			::	X(:)
real(kind=pr),	intent(inout)			::	dF(:,:)
real(kind=pr),	intent(inout)			::	dXdS(:)
integer,	intent(inout)			::	ns
real(kind=pr),	intent(inout)			::	dS