thetas_i Function

public function thetas_i(nm, ng, parameters, stew, molecules) result(thetas_ij)

calculation

Calculate the area fraciton of each froup on each molecule.

Description

Calculate the area fraciton of each froup on each molecule. The values are obtained on the setup_unifac function and stored on the UNIFAC type, since the values can be reused (no compositional or temperature dependence)

References

  1. SINTEF - Thermopack

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: nm

Number of molecules
integer, intent(in) :: ng

Number of groups
type(GeGCModelParameters), intent(in) :: parameters

UNIFAC parameters
type(Groups), intent(in) :: stew

All the groups present in the system
type(Groups), intent(in) :: molecules(:)

Molecules

Return Value real(kind=pr), (nm,ng)

Group j area fraction on molecule i


Calls

proc~~thetas_i~~CallsGraph proc~thetas_i thetas_i proc~get_subgroup_q GeGCModelParameters%get_subgroup_Q proc~thetas_i->proc~get_subgroup_q proc~get_subgroup_index GeGCModelParameters%get_subgroup_index proc~get_subgroup_q->proc~get_subgroup_index

Called by

proc~~thetas_i~~CalledByGraph proc~thetas_i thetas_i proc~setup_unifac setup_unifac proc~setup_unifac->proc~thetas_i proc~setup_dortmund setup_dortmund proc~setup_dortmund->proc~setup_unifac proc~setup_psrk setup_psrk proc~setup_psrk->proc~setup_unifac proc~psrk PSRK proc~psrk->proc~setup_psrk

Variables

Type Visibility Attributes Name Initial
integer, public :: gi
integer, public :: i
integer, public :: j
integer, public :: k
real(kind=pr), public :: qki_contribution
real(kind=pr), public :: total_area_i(nm)