ext_gamma_mie_python

Description

Routines for calculating the Helmholtz energy for the SAFT-gamma equation of state.

Equations referenced in this code are from V. Papaioannou et al. J. Chem. Phys. 140 054107 2014

Functions

calc_Bkl(rho, l_kl, Cmol2seg, dkl, ...)	Return Bkl(rho*Cmol2seg,l_kl) in K as defined in eq.
calc_Bkl_eff(rho, l_ii_avg, Cmol2seg, ...)	Return Bii_avg(rho*Cmol2seg,l_ii_avg) in K as defined in eq.
calc_Iij(rho, T, xi, epsilonii_avg, ...)	Reference fluid pair correlation function used in calculating association sites
calc_a1ii(rho, Cmol2seg, dkl, l_akl, l_rkl, ...)	Calculate effective first-order perturbation term \(\bar{a}_{1,ii}\).
calc_a1s(rho, Cmol2seg, l_kl, zetax, ...)	Return a1s,kl(rho*Cmol2seg,l_kl) in K as defined in eq.
calc_a1s_eff(rho, Cmol2seg, l_ii_avg, zetax, ...)	Return a1s,(rho*Cmol2seg,l_ij) in K
calc_dBkl_drhos(l_ii_avg, dii_avg, ...)	Return derivative of Bkl(rho*Cmol2seg,l_ii_avg) with respect to \(\rho_S\).
calc_da1iidrhos(rho, Cmol2seg, dii_eff, ...)	Compute derivative of the term, \(\bar{a}_{1,ii}\) with respect to \(\rho_s\)
calc_da1sii_drhos(rho, Cmol2seg, l_ii_avg, ...)	Return the derivative of a1s,ii_avg(rho*Cmol2seg,l_ii_avg) with represent to number density in Kelvin
calc_da2ii_1pchi_drhos(rho, Cmol2seg, ...)	Compute derivative of the term, \(\frac{\bar{a}_{2,ii}}{1+\bar{\chi}_{ii}}\) with respect to \(\rho_s\).
prefactor(l_r, l_a)	Calculations C, the Mie potential prefactor, defined in eq.