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À propos de : Molecular Simulation of Vapor−Liquid Phase Equilibria of Hydrogen Sulfide and ItsMixtures with Alkanes        

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  • Molecular Simulation of Vapor−Liquid Phase Equilibria of Hydrogen Sulfide and ItsMixtures with Alkanes
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  • A new set of force field parameters for a three-point potential model of hydrogen sulfide (H2S) is proposed,based on fitting of the experimental saturation densities. The proposed model also reproduces well the criticalproperties and vapor-phase dipole moment of the substance. The new model is used to study vapor−liquidphase equilibria of binary mixtures of hydrogen sulfide with alkanes of various lengths. Results of binaryphase equilibria simulations are found to be in good agreement with available experimental data.
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