PTEnvelMP Derived Type

type, public :: PTEnvelMP

Multiphase PT envelope.

Components

Type	Visibility	Attributes		Name		Initial
type(MPPoint),	public,	allocatable	::	points(:)			Array of converged points.

Type-Bound Procedures

procedure, public, nopass :: get_values_from_X

private subroutine get_values_from_X(X, np, z, x_l, w, betas, P, T)

Extract the values of the variables from the vector X.

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=pr),	intent(in)			::	X(:)	Vector of variables.
integer,	intent(in)			::	np	Number of main phases.
real(kind=pr),	intent(in)			::	z(:)	Mixture composition.
real(kind=pr),	intent(out)			::	x_l(np,size(z))	Mole fractions of the main phases.
real(kind=pr),	intent(out)			::	w(size(z))	Mole fractions of the incipient phase.
real(kind=pr),	intent(out)			::	betas(np)	Fractions of the main phases.
real(kind=pr),	intent(out)			::	P	Pressure [bar].
real(kind=pr),	intent(out)			::	T	Temperature [K].

procedure, public, nopass :: solve_point

private subroutine solve_point(model, z, np, beta_w, X, ns, S, dXdS, F, df, iters, max_iterations)

Arguments

Type	Intent	Optional	Attributes		Name
class(ArModel),	intent(in)			::	model	Model to use.
real(kind=pr),	intent(in)			::	z(:)	Mixture global composition.
integer,	intent(in)			::	np	Number of main phases
real(kind=pr),	intent(in)			::	beta_w	Fraction of the reference (incipient) phase
real(kind=pr),	intent(inout)			::	X(:)	Vector of variables
integer,	intent(in)			::	ns	Number of specification
real(kind=pr),	intent(in)			::	S	Specification value
real(kind=pr),	intent(in)			::	dXdS(size(X))
real(kind=pr),	intent(out)			::	F(size(X))	Vector of functions valuated
real(kind=pr),	intent(out)			::	df(size(X),size(X))	Jacobian matrix
integer,	intent(out)			::	iters	Number of iterations to solve the current point
integer,	intent(in)			::	max_iterations	Maximum number of iterations to solve the point

procedure, public :: write => write_envelope_PT_MP

private subroutine write_envelope_PT_MP(env, unit)

Arguments

Type	Intent	Optional	Attributes		Name
class(PTEnvelMP),	intent(in)			::	env
integer,	intent(in)			::	unit