Vapor-liquid equilibrium calculations at specified composition, density and temperature with the perturbed chain statistical associating fluid theory (PC-SAFT) equation of state

In this study, the PC-SAFT equation of state is used for vapor-liquid equilibrium calculations using as independent variables the mixture composition, density and temperature. The method is based on unconstrained minimisation of the Helmholtz Free energy via a combination of the successive substitution iteration and Newton-Raphson minimisation methods with line-search; the positive definiteness of the Hessian is guaranteed by a modified Cholesky...