saft_toolbox

Description

General functions that are applicable to multiple SAFT variants

Functions

calc_KHS(zetax)	Calculate (length of density array) isothermal compressibility of system with packing fraction zetax
calc_composition_dependent_variables(xi, ...)	Calculate the factor for converting molar density to bead density and molecular mole fractions to bead fractions.
calc_dkk(epsilon, sigma, T, Cprefactor, lambdar)	Calculates hard sphere diameter of a group k, \(d_{k,k}\).
calc_hard_sphere_matricies(T, sigmakl, ...)	Computes matrix of hard sphere interaction parameters dkk, dkl, and x0kl.
calc_zetax(rho, Cmol2seg, xskl, dkl)	Calculate matrix of hypothetical packing fraction based on hard sphere diameter for groups (k,l)
calc_zetaxstar(rho, Cmol2seg, xskl, sigmakl)	Calculate matrix of hypothetical packing fraction based on sigma for groups (k,l)