Calculate the excess Gibbs free energy and its derivatives of the UNIQUAC model.
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| class(UNIQUAC), | intent(in) | :: | self |
UNIQUAC model |
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| real(kind=pr), | intent(in) | :: | n(:) |
Moles vector [mol] |
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| real(kind=pr), | intent(in) | :: | T |
Temperature [K] |
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| real(kind=pr), | intent(out), | optional | :: | Ge |
Excess Gibbs energy |
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| real(kind=pr), | intent(out), | optional | :: | GeT |
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| real(kind=pr), | intent(out), | optional | :: | GeT2 |
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| real(kind=pr), | intent(out), | optional | :: | Gen(size(n)) |
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| real(kind=pr), | intent(out), | optional | :: | GeTn(size(n)) |
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| real(kind=pr), | intent(out), | optional | :: | Gen2(size(n),size(n)) |
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| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| real(kind=pr), | public | :: | GeT2_aux | ||||
| real(kind=pr), | public | :: | GeT_aux | ||||
| real(kind=pr), | public | :: | GeTn_aux(size(n)) | ||||
| real(kind=pr), | public | :: | Ge_aux | ||||
| real(kind=pr), | public | :: | Ge_comb | ||||
| real(kind=pr), | public | :: | Ge_res | ||||
| real(kind=pr), | public | :: | Gen2_aux(size(n),size(n)) | ||||
| real(kind=pr), | public | :: | Gen_aux(size(n)) | ||||
| real(kind=pr), | public | :: | Gen_comb(size(n)) | ||||
| real(kind=pr), | public | :: | Gen_res(size(n)) | ||||
| real(kind=pr), | public | :: | d2phik_dnidnj(size(n),size(n),size(n)) | ||||
| real(kind=pr), | public | :: | d2tau(size(n),size(n)) | ||||
| real(kind=pr), | public | :: | d2thetak_dnidnj(size(n),size(n),size(n)) | ||||
| real(kind=pr), | public | :: | d2xk_dnidnj(size(n),size(n),size(n)) | ||||
| real(kind=pr), | public | :: | diff_aux(size(n)) | ||||
| real(kind=pr), | public | :: | dln_nk_dni(size(n),size(n)) | ||||
| logical, | public | :: | dn | ||||
| logical, | public | :: | dn2 | ||||
| real(kind=pr), | public | :: | dphik_dn(size(n),size(n)) | ||||
| logical, | public | :: | dt | ||||
| logical, | public | :: | dt2 | ||||
| logical, | public | :: | dt_or_dtn | ||||
| real(kind=pr), | public | :: | dtau(size(n),size(n)) | ||||
| real(kind=pr), | public | :: | dthetak_dni(size(n),size(n)) | ||||
| logical, | public | :: | dtn | ||||
| real(kind=pr), | public | :: | dxk_dni(size(n),size(n)) | ||||
| integer, | public | :: | i | ||||
| integer, | public | :: | j | ||||
| integer, | public | :: | k | ||||
| real(kind=pr), | public | :: | n_tot | ||||
| integer, | public | :: | nc | ||||
| real(kind=pr), | public | :: | phik(size(n)) | ||||
| real(kind=pr), | public | :: | q_i | ||||
| real(kind=pr), | public | :: | q_j | ||||
| real(kind=pr), | public | :: | q_k | ||||
| real(kind=pr), | public | :: | r_i | ||||
| real(kind=pr), | public | :: | r_j | ||||
| real(kind=pr), | public | :: | r_k | ||||
| real(kind=pr), | public | :: | sum_d2theta_tau_lk(size(n)) | ||||
| real(kind=pr), | public | :: | sum_dtheta_l_dtau_lk(size(n),size(n)) | ||||
| real(kind=pr), | public | :: | sum_dtheta_l_tau_lk(size(n),size(n)) | ||||
| real(kind=pr), | public | :: | sum_nq | ||||
| real(kind=pr), | public | :: | sum_nr | ||||
| real(kind=pr), | public | :: | sum_theta_l_d2tau_lk(size(n)) | ||||
| real(kind=pr), | public | :: | sum_theta_l_dtau_lk(size(n)) | ||||
| real(kind=pr), | public | :: | sum_thetal_tau_lk(size(n)) | ||||
| real(kind=pr), | public | :: | tau(size(n),size(n)) | ||||
| real(kind=pr), | public | :: | thetak(size(n)) | ||||
| real(kind=pr), | public | :: | trm1 | ||||
| real(kind=pr), | public | :: | trm2 | ||||
| real(kind=pr), | public | :: | trm3 | ||||
| real(kind=pr), | public | :: | trm4 | ||||
| real(kind=pr), | public | :: | trm5 | ||||
| real(kind=pr), | public | :: | trm6 | ||||
| real(kind=pr), | public | :: | xk(size(n)) |