ln_activity_coefficient Subroutine

private subroutine ln_activity_coefficient(eos, n, P, T, root_type, lngamma, dlngammadP, dlngammadT, dlngammadn)

Calculate natural logarithm of activity coefficients and its derivatives given pressure and temperature.

Examples

```fortran ! eos = PengRobinson76(Tc, Pc, w)

n = [1.0_pr, 1.0_pr] ! T = 300.0_pr ! P = 1.0_pr

call eos%ln_activity_coefficient(& n, P, T, root_type=”stable”, & lngamma=lngamma, dlngammadP=dlngammadP, & dlngammadT=dlngammadT, dlngammadn=dlngammadn & ) ```

Type Bound

ArModel

Arguments

Type IntentOptional Attributes Name
class(ArModel), intent(in) :: eos

Model
real(kind=pr), intent(in) :: n(:)

Moles number vector
real(kind=pr), intent(in) :: P

Pressure [bar]
real(kind=pr), intent(in) :: T

Temperature [K]
character(len=*), intent(in) :: root_type

Desired root-type to solve. Options are: ["liquid", "vapor", "stable"]
real(kind=pr), intent(out), optional :: lngamma(size(n))

Natural logarithm of activity coefficient
real(kind=pr), intent(out), optional :: dlngammadP(size(n))

real(kind=pr), intent(out), optional :: dlngammadT(size(n))

real(kind=pr), intent(out), optional :: dlngammadn(size(n),size(n))


Calls

proc~~ln_activity_coefficient~~CallsGraph proc~ln_activity_coefficient ArModel%ln_activity_coefficient proc~lnphi_pt ArModel%lnphi_pt proc~ln_activity_coefficient->proc~lnphi_pt proc~lnphi_vt ArModel%lnphi_vt proc~lnphi_pt->proc~lnphi_vt proc~volume~2 ArModel%volume proc~lnphi_pt->proc~volume~2 residual_helmholtz residual_helmholtz proc~lnphi_vt->residual_helmholtz get_v0 get_v0 proc~volume~2->get_v0 interface~newton newton proc~volume~2->interface~newton proc~newton_1d newton_1d interface~newton->proc~newton_1d

Called by

proc~~ln_activity_coefficient~~CalledByGraph proc~ln_activity_coefficient ArModel%ln_activity_coefficient proc~enthalpy_excess ArModel%enthalpy_excess proc~enthalpy_excess->proc~ln_activity_coefficient proc~entropy_excess ArModel%entropy_excess proc~entropy_excess->proc~ln_activity_coefficient proc~gibbs_excess ArModel%gibbs_excess proc~gibbs_excess->proc~ln_activity_coefficient proc~helmholtz_excess ArModel%helmholtz_excess proc~helmholtz_excess->proc~ln_activity_coefficient proc~internal_energy_excess ArModel%internal_energy_excess proc~internal_energy_excess->proc~ln_activity_coefficient proc~volume_excess ArModel%volume_excess proc~volume_excess->proc~ln_activity_coefficient

Variables

Type Visibility Attributes Name Initial
real(kind=pr), private :: dPdV
real(kind=pr), private :: dPdn(size(n))
real(kind=pr), private :: dVdn(size(n))
real(kind=pr), private :: dlnPhi_i_dT(size(n))
real(kind=pr), private :: dlnPhi_i_dT_temp(size(n))
real(kind=pr), private :: dlnPhidT(size(n))
real(kind=pr), private :: dlnPhidn(size(n),size(n))
logical, private :: dn
logical, private :: dp
logical, private :: dt
logical, private :: gam
integer, private :: i
real(kind=pr), private :: lnPhi(size(n))
real(kind=pr), private :: lnPhi_i(size(n))
real(kind=pr), private :: lnPhi_i_temp(size(n))
real(kind=pr), private :: npure(size(n))
logical, private :: present_derivs
real(kind=pr), private :: vi(size(n))
real(kind=pr), private :: vi_temp