YAEOS__MODELS_AR_SAFT_PCSAFT

Uses

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Used by

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Graph Key

Nodes of different colours represent the following:

Solid arrows point from a submodule to the (sub)module which it is descended from. Dashed arrows point from a module or program unit to modules which it uses.

Variables

Type	Visibility	Attributes		Name		Initial
real(kind=pr),	public,	DIMENSION(0:2, 0:6), SAVE	::	a_coeffs	=	RESHAPE((/0.9105631445, -0.3084016918, -0.0906148351, 0.6361281449, 0.1860531159, 0.4527842806, 2.6861347891, -2.5030047259, 0.5962700728, -26.547362491, 21.419793629, -1.7241829131, 97.759208784, -65.255885330, -4.1302112531, -159.59154087, 83.318680481, 13.776631870, 91.297774084, -33.746922930, -8.6728470368/), (/3, 7/))
real(kind=pr),	public,	DIMENSION(0:2, 0:6), SAVE	::	b_coeffs	=	RESHAPE((/0.7240946941, -0.5755498075, 0.0976883116, 2.2382791861, 0.6995095521, -0.2557574982, -4.0025849485, 3.8925673390, -9.1558561530, -21.003576815, -17.215471648, 20.642075974, 26.855641363, 192.67226447, -38.804430052, 206.55133841, -161.82646165, 93.626774077, -355.60235612, -165.20769346, -29.666905585/), (/3, 7/))
real(kind=pr),	public,	parameter	::	n_avo	=	6.02214076e23_pr
real(kind=pr),	public,	parameter	::	pi	=	3.14159265359_pr
real(kind=pr),	public,	parameter	::	units_factor	=	0.000602214086_pr

Derived Types

type, public, extends(ArModelTapenade) :: PCSAFT

Components

Type	Visibility	Attributes		Name
type(Substances),	public		::	components	Substances contained in the module
real(kind=pr),	public,	ALLOCATABLE	::	epsilon_k(:)	Energy / k_B [K]
real(kind=pr),	public,	ALLOCATABLE	::	kij(:,:)	Binary interaction parameters (optional)
real(kind=pr),	public,	ALLOCATABLE	::	m(:)	Number of segments
character(len=:),	public,	allocatable	::	name	Name of the model
real(kind=pr),	public,	ALLOCATABLE	::	sigma(:)	Segment diameter [Angstrom]

Type-Bound Procedures

procedure, public :: Cp_residual_pt
procedure, public :: Cp_residual_vt
procedure, public :: Cv_residual_pt
procedure, public :: Cv_residual_vt
procedure, public :: Psat_pure
procedure, public :: ar => AR
procedure, public :: ar_b => AR_B
procedure, public :: ar_d => AR_D
procedure, public :: ar_d_b => AR_D_B
procedure, public :: ar_d_d => AR_D_D
procedure, public :: enthalpy_excess
procedure, public :: enthalpy_residual_pt
procedure, public :: enthalpy_residual_vt
procedure, public :: entropy_excess
procedure, public :: entropy_residual_pt
procedure, public :: entropy_residual_vt
procedure, public :: get_v0
procedure, public :: gibbs_excess
procedure, public :: gibbs_residual_pt
procedure, public :: gibbs_residual_vt
procedure, public :: helmholtz_excess
procedure, public :: helmholtz_residual_pt
procedure, public :: internal_energy_excess
procedure, public :: internal_energy_residual_pt
procedure, public :: internal_energy_residual_vt
procedure, public :: ln_activity_coefficient
procedure, public :: lnfug_vt
procedure, public :: lnphi_pt
procedure, public :: lnphi_vt
procedure, public :: pressure
procedure, public :: residual_helmholtz
procedure, public :: volume
procedure, public :: volume_excess

Functions

public function get_v0(self, n, P, T) result(v0)

Arguments

Type	Intent		Name
class(PCSAFT),	intent(in)	::	self
real(kind=pr),	intent(in)	::	n(:)
real(kind=pr),	intent(in)	::	P
real(kind=pr),	intent(in)	::	T

Return Value real(kind=pr)

public function init_pcsaft(m, sigma, epsilon_k, kij) result(model)

Arguments

Type	Intent	Optional		Name
real(kind=8),	intent(in)		::	m(:)	Number of segments
real(kind=8),	intent(in)		::	sigma(:)	Segment diameter [Angstrom]
real(kind=8),	intent(in)		::	epsilon_k(:)	Energy / k_B [K]
real(kind=8),	intent(in),	optional	::	kij(:,:)	Binary interaction parameters (optional)

Return Value type(PCSAFT)

Subroutines

public subroutine AR(model, n, v, t, arval)

Arguments

Type	Intent		Name
class(PCSAFT),	intent(in)	::	model
real(kind=pr),	intent(in)	::	n(:)
real(kind=pr),	intent(in)	::	v
real(kind=pr),	intent(in)	::	t
real(kind=pr),	intent(out)	::	arval

public subroutine AR_B(model, n, nb, v, vb, t, tb, arval, arvalb)

Arguments

Type	Intent		Name
class(PCSAFT),	intent(in)	::	model
real(kind=pr),	intent(in)	::	n(:)
real(kind=pr)		::	nb(:)
real(kind=pr),	intent(in)	::	v
real(kind=pr)		::	vb
real(kind=pr),	intent(in)	::	t
real(kind=pr)		::	tb
real(kind=pr)		::	arval
real(kind=pr)		::	arvalb

public subroutine AR_D(model, n, nd, v, vd, t, td, arval, arvald)

Arguments

Type	Intent		Name
class(PCSAFT),	intent(in)	::	model
real(kind=pr),	intent(in)	::	n(:)
real(kind=pr),	intent(in)	::	nd(:)
real(kind=pr),	intent(in)	::	v
real(kind=pr),	intent(in)	::	vd
real(kind=pr),	intent(in)	::	t
real(kind=pr),	intent(in)	::	td
real(kind=pr),	intent(out)	::	arval
real(kind=pr),	intent(out)	::	arvald

public subroutine AR_D_B(model, n, nb, nd, ndb, v, vb, vd, vdb, t, tb, td, tdb, arval, arvalb, arvald, arvaldb)

Arguments

Type	Intent		Name
class(PCSAFT),	intent(in)	::	model
real(kind=pr),	intent(in)	::	n(:)
real(kind=pr)		::	nb(:)
real(kind=pr),	intent(in)	::	nd(:)
real(kind=pr)		::	ndb(:)
real(kind=pr),	intent(in)	::	v
real(kind=pr)		::	vb
real(kind=pr),	intent(in)	::	vd
real(kind=pr)		::	vdb
real(kind=pr),	intent(in)	::	t
real(kind=pr)		::	tb
real(kind=pr),	intent(in)	::	td
real(kind=pr)		::	tdb
real(kind=pr)		::	arval
real(kind=pr)		::	arvalb
real(kind=pr)		::	arvald
real(kind=pr)		::	arvaldb

public subroutine AR_D_D(model, n, nd, v, vd0, vd, t, td0, td, arval, arvald0, arvald, arvaldd)

Arguments

Type	Intent		Name
class(PCSAFT),	intent(in)	::	model
real(kind=pr),	intent(in)	::	n(:)
real(kind=pr),	intent(in)	::	nd(:)
real(kind=pr),	intent(in)	::	v
real(kind=pr),	intent(in)	::	vd0
real(kind=pr),	intent(in)	::	vd
real(kind=pr),	intent(in)	::	t
real(kind=pr),	intent(in)	::	td0
real(kind=pr),	intent(in)	::	td
real(kind=pr),	intent(out)	::	arval
real(kind=pr),	intent(out)	::	arvald0
real(kind=pr),	intent(out)	::	arvald
real(kind=pr),	intent(out)	::	arvaldd

public subroutine AR_D_D_D(model, n, nd, v, vd1, vd0, vd, t, td1, td0, td, arval, arvald1, arvald0, arvald0d, arvald, arvaldd0, arvaldd, arvalddd)

Arguments

Type	Intent		Name
class(PCSAFT),	intent(in)	::	model
real(kind=pr),	intent(in)	::	n(:)
real(kind=pr),	intent(in)	::	nd(:)
real(kind=pr),	intent(in)	::	v
real(kind=pr),	intent(in)	::	vd1
real(kind=pr),	intent(in)	::	vd0
real(kind=pr),	intent(in)	::	vd
real(kind=pr),	intent(in)	::	t
real(kind=pr),	intent(in)	::	td1
real(kind=pr),	intent(in)	::	td0
real(kind=pr),	intent(in)	::	td
real(kind=pr),	intent(out)	::	arval
real(kind=pr),	intent(out)	::	arvald1
real(kind=pr),	intent(out)	::	arvald0
real(kind=pr),	intent(out)	::	arvald0d
real(kind=pr),	intent(out)	::	arvald
real(kind=pr),	intent(out)	::	arvaldd0
real(kind=pr),	intent(out)	::	arvaldd
real(kind=pr),	intent(out)	::	arvalddd

public subroutine volume(eos, n, P, T, V, root_type)

Volume solver optimized for PC-SAFT

Arguments

Type	Intent		Name
class(PCSAFT),	intent(in)	::	eos
real(kind=pr),	intent(in)	::	n(:)
real(kind=pr),	intent(in)	::	P
real(kind=pr),	intent(in)	::	T
real(kind=pr),	intent(out)	::	V
character(len=*),	intent(in)	::	root_type

YAEOS__MODELS_AR_SAFT_PCSAFT Module

Contents

Variables

Derived Types

Functions

Subroutines

Uses

Used by

Variables

Derived Types

type, public, extends(ArModelTapenade) :: PCSAFT

Components

Type-Bound Procedures

Functions

public function get_v0(self, n, P, T) result(v0)

Arguments

Return Value real(kind=pr)

public function init_pcsaft(m, sigma, epsilon_k, kij) result(model)

Arguments

Return Value type(PCSAFT)

Subroutines

public subroutine AR(model, n, v, t, arval)

Arguments

public subroutine AR_B(model, n, nb, v, vb, t, tb, arval, arvalb)

Arguments

public subroutine AR_D(model, n, nd, v, vd, t, td, arval, arvald)

Arguments

public subroutine AR_D_B(model, n, nb, nd, ndb, v, vb, vd, vdb, t, tb, td, tdb, arval, arvalb, arvald, arvaldb)

Arguments

public subroutine AR_D_D(model, n, nd, v, vd0, vd, t, td0, td, arval, arvald0, arvald, arvaldd)

Arguments

public subroutine AR_D_D_D(model, n, nd, v, vd1, vd0, vd, t, td1, td0, td, arval, arvald1, arvald0, arvald0d, arvald, arvaldd0, arvaldd, arvalddd)

Arguments

public subroutine volume(eos, n, P, T, V, root_type)

Arguments