nrtl_hv_ge Subroutine

public subroutine nrtl_hv_ge(n, T, b, alpha, tau, dtaudt, dtaudt2, Ge, Gen, GeT, GeT2, GeTn, Gen2)

Arguments

Type IntentOptional Attributes Name
real(kind=pr), intent(in) :: n(:)

Number of moles vector.

real(kind=pr), intent(in) :: T

Temperature [K]

real(kind=pr), intent(in) :: b(:)

parameter

real(kind=pr), intent(in) :: alpha(:,:)

matrix

real(kind=pr), intent(in) :: tau(:,:)

matrix

real(kind=pr), intent(in) :: dtaudt(:,:)

First derivative of with respect to temperature

real(kind=pr), intent(in) :: dtaudt2(:,:)

Second derivative of with respect to temperature

real(kind=pr), intent(out), optional :: Ge

Excess Gibbs energy

real(kind=pr), intent(out), optional :: Gen(:)

Excess Gibbs energy derivative with repect to number of moles

real(kind=pr), intent(out), optional :: GeT

Excess Gibbs energy derivative with respect to temperature

real(kind=pr), intent(out), optional :: GeT2

Excess Gibbs energy second derivative with respect to temperature

real(kind=pr), intent(out), optional :: GeTn(:)

Excess Gibbs energy derivative with respect to temperature and number of moles

real(kind=pr), intent(out), optional :: Gen2(:,:)

Excess Gibbs energy second derivative with respect to number of moles


Variables

Type Visibility Attributes Name Initial
real(kind=pr), public :: D
real(kind=pr), public :: Dn(size(n))
real(kind=pr), public :: E(size(n),size(n))
real(kind=pr), public :: U
real(kind=pr), public :: aux_Ge
real(kind=pr), public :: aux_GeT
real(kind=pr), public :: aux_GeTn(size(n))
real(kind=pr), public :: aux_Gen(size(n))
real(kind=pr), public :: dEdT(size(n),size(n))
real(kind=pr), public :: dEdT2(size(n),size(n))
real(kind=pr), public :: denom
real(kind=pr), public :: eta(size(n),size(n))
real(kind=pr), public :: etaT(size(n),size(n))
integer, public :: i
integer, public :: j
integer, public :: k
integer, public :: l
integer, public :: m
integer, public :: nc
real(kind=pr), public :: omega(size(n),size(n))
real(kind=pr), public :: omegaT(size(n),size(n))
logical, public :: p_ge
logical, public :: p_gen
logical, public :: p_gen2
logical, public :: p_gent
logical, public :: p_get
logical, public :: p_get2
real(kind=pr), public :: theta(size(n),size(n))
real(kind=pr), public :: thetaT(size(n))
real(kind=pr), public :: thetaTT(size(n))
real(kind=pr), public :: xi(size(n),size(n))
real(kind=pr), public :: xiT(size(n))
real(kind=pr), public :: xiTT(size(n))