setup_uniquac Function

public function setup_uniquac(qs, rs, aij, bij, cij, dij, eij)

Instantiate a UNIQUAC model.

Non provided interaction parameters are set to zero matrices.

Arguments

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

Molecule’s relative volumes

real(kind=pr), intent(in) :: rs(size(qs))

Molecule’s relative areas

real(kind=pr), intent(in), optional :: aij(size(qs),size(qs))

Interaction parameters matrix , zero matrix if no provided.

real(kind=pr), intent(in), optional :: bij(size(qs),size(qs))

Interaction parameters matrix , zero matrix if no provided.

real(kind=pr), intent(in), optional :: cij(size(qs),size(qs))

Interaction parameters matrix , zero matrix if no provided.

real(kind=pr), intent(in), optional :: dij(size(qs),size(qs))

Interaction parameters matrix , zero matrix if no provided.

real(kind=pr), intent(in), optional :: eij(size(qs),size(qs))

Interaction parameters matrix , zero matrix if no provided.

Return Value type(UNIQUAC)