A recently developed version of the Gibbs ensemble Monte Carlo technique is used for the determination of vapor−liquid equilibria of potential models for hydrogen sulfide. By fitting to experimental saturation properties of the substance, an optimized effective pair potential is parametrized on the basis of an existing four-site model of Lennard-Jones plus point charge type. The new model reproduces well also the critical properties and the structural characteristics of the substance.
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Kristóf et al. (1997) studied this question.
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