CMRTD Derived Type

type, public, extends(CMR) :: CMRTD

Inherits

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Components

Type	Visibility	Attributes		Name		Initial
real(kind=pr),	public,	allocatable	::	Tref(:,:,:)
logical,	public		::	dn2	=	.false.	Calculate second order derivatives
logical,	public		::	is_D_ddlc	=	.false.	Mixing rule D parameter dependant on density
real(kind=pr),	public,	allocatable	::	k(:,:,:)			Attractive Binary Interatction parameter matrix
real(kind=pr),	public,	allocatable	::	k0(:,:,:)
real(kind=pr),	public,	allocatable	::	l(:,:,:)			Repulsive Binary Interatction parameter matrix

Type-Bound Procedures

procedure, public :: Bmix

Repulsive parameter mixing rule

private subroutine Bmix(self, n, bi, B, dBi, dBij)

Mixture repulsive parameter.

Arguments

Type	Intent	Optional	Attributes		Name
class(CMR),	intent(in)			::	self	Mixing rule object.
real(kind=pr),	intent(in)			::	n(:)	Moles vector.
real(kind=pr),	intent(in)			::	bi(:)	Pure components repulsive parameters.
real(kind=pr),	intent(out)			::	B	Mixture repulsive parameter.
real(kind=pr),	intent(out)			::	dBi(:)	$\frac{dB}{dn_i}$
real(kind=pr),	intent(out)			::	dBij(:,:)	$\frac{d^2B}{dn_{ij}}$

procedure, public :: D1mix => RKPR_D1mix

private subroutine RKPR_D1mix(self, n, d1i, D1, dD1i, dD1ij)

RKPR $\delta_1$ parameter mixing rule.

Arguments

Type	Intent	Optional	Attributes		Name
class(CMR),	intent(in)			::	self
real(kind=pr),	intent(in)			::	n(:)
real(kind=pr),	intent(in)			::	d1i(:)
real(kind=pr),	intent(out)			::	D1
real(kind=pr),	intent(out)			::	dD1i(:)
real(kind=pr),	intent(out)			::	dD1ij(:,:)

procedure, public :: Dmix

Attractive parameter mixing rule

private subroutine Dmix(self, n, V, T, ai, daidt, daidt2, D, dDdV, dDdT, dDdV2, dDdT2, dDi, dDdTV, dDidV, dDidT, dDij)

Attractive parameter mixing rule with quadratic mix.

Arguments

Type	Intent	Optional	Attributes		Name
class(CMR),	intent(in)			::	self	Mixing rule object.
real(kind=pr),	intent(in)			::	n(:)	Moles vector [mol]
real(kind=pr),	intent(in)			::	V	Volume [L] (unused)
real(kind=pr),	intent(in)			::	T	Temperature [K]
real(kind=pr),	intent(in)			::	ai(:)	Pure components attractive parameters $a_i$
real(kind=pr),	intent(in)			::	daidt(:)	$\frac{da_i}{dT}$
real(kind=pr),	intent(in)			::	daidt2(:)	$\frac{d^2a_i}{dT^2}$
real(kind=pr),	intent(out)			::	D	Mixture attractive parameter $n^2a_{mix}$
real(kind=pr),	intent(out)			::	dDdV	$\frac{dD}{dT}$
real(kind=pr),	intent(out)			::	dDdT	$\frac{dD}{dV}$
real(kind=pr),	intent(out)			::	dDdV2	$\frac{d^2D}{dV^2}$
real(kind=pr),	intent(out)			::	dDdT2	$\frac{d^2D}{dT^2}$
real(kind=pr),	intent(out)			::	dDi(:)	$\frac{dD}{dn_i}$
real(kind=pr),	intent(out)			::	dDdTV	$\frac{d^2D}{dTV$
real(kind=pr),	intent(out)			::	dDidV(:)	$\frac{d^2D}{dVn_i}$
real(kind=pr),	intent(out)			::	dDidT(:)	$\frac{d^2D}{dTn_i}$
real(kind=pr),	intent(out)			::	dDij(:,:)	$\frac{d^2D}{dn_{ij}}$

procedure, public :: aijk => kijk_exp_tdep

public subroutine kijk_exp_tdep(self, T, ai, daidt, daidt2, a, dadt, dadt2)

Combining rule that uses $k_{ijk}$ as a function of temperature.

Arguments

Type	Intent	Optional	Attributes		Name
class(CMRTD),	intent(in)			::	self
real(kind=pr),	intent(in)			::	T	Temperature [K]
real(kind=pr),	intent(in)			::	ai(:)	Pure components attractive parameters (\a_i)
real(kind=pr),	intent(in)			::	daidt(:)	$\frac{da_i}{dT}$
real(kind=pr),	intent(in)			::	daidt2(:)	$\frac{d^2a_i}{dT^2}$
real(kind=pr),	intent(out)			::	a(:,:,:)	$a_{ijk}$ Matrix
real(kind=pr),	intent(out)			::	dadt(:,:,:)	$\frac{da_{ijk}{dT}$
real(kind=pr),	intent(out)			::	dadt2(:,:,:)	$\frac{d^2a_{ijk}{dT^2}$