yaeos__equilibria_boundaries_phase_envelopes_pt Module

Phase boundaries line on the $PT$ plane calculation procedures.

Uses

Variables

Type	Visibility	Attributes		Name		Initial
real(kind=pr),	private		::	Vy
real(kind=pr),	private		::	Vz

Derived Types

type, public :: CriticalPoint

Critical point

Components

Type	Visibility	Attributes		Name		Initial
real(kind=pr),	public		::	P			Pressure [bar]
real(kind=pr),	public		::	T			Temperature [K]

type, public :: PTEnvel2

Two-phase isopleth. Phase boundary line of a fluid at constant composition.

Components

Type	Visibility	Attributes		Name		Initial
type(CriticalPoint),	public,	allocatable	::	cps(:)			Critical points found along the line.
type(EquilibriumState),	public,	allocatable	::	points(:)			Each point through the line.

Type-Bound Procedures

procedure, public, pass :: write => write_PTEnvel2
generic, public :: write (FORMATTED) => write

Functions

public function pt_envelope_2ph(model, z, first_point, points, iterations, delta_0, specified_variable_0, solver, stop_conditions) result(envelopes)

PT two-phase envelope calculation procedure.

Arguments

Type	Intent	Optional	Attributes		Name
class(ArModel),	intent(in)			::	model	Thermodyanmic model
real(kind=pr),	intent(in)			::	z(:)	Vector of molar fractions
type(EquilibriumState)				::	first_point
integer,	intent(in),	optional		::	points	Maxmimum number of points, defaults to 500
integer,	intent(in),	optional		::	iterations	Point solver maximum iterations, defaults to 100
real(kind=pr),	intent(in),	optional		::	delta_0	Initial extrapolation $\Delta$
integer,	intent(in),	optional		::	specified_variable_0	Position of specified variable, since the vector of variables is $X = [lnK_i, \dots, lnT, lnP]$ the values for specification will be $[1 \dots nc]$ for the equilibria constants, $nc+1$ for $lnT$ and $nc + 2$ for $lnT$ .
procedure(continuation_solver),		optional		::	solver	Specify solver for each point, defaults to a full newton procedure
procedure(continuation_stopper),		optional		::	stop_conditions	Function that returns true if the continuation method should stop

Return Value type(PTEnvel2)

Subroutines

public subroutine write_PTEnvel2(pt2, unit, iotype, v_list, iostat, iomsg)

Arguments

Type	Intent	Optional	Attributes		Name
class(PTEnvel2),	intent(in)			::	pt2
integer,	intent(in)			::	unit
character(len=*),	intent(in)			::	iotype
integer,	intent(in)			::	v_list(:)
integer,	intent(out)			::	iostat
character(len=*),	intent(inout)			::	iomsg