Molecular Simulation of Vapor−Liquid Phase Equilibria of Hydrogen Sulfide and Its Mixtures with Alkanes

摘要: A new set of force field parameters for a three-point potential model hydrogen sulfide (H2S) is proposed, based on fitting the experimental saturation densities. The proposed also reproduces well critical properties and vapor-phase dipole moment substance. used to study vapor−liquid phase equilibria binary mixtures with alkanes various lengths. Results simulations are found be in good agreement available data.