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Molecular dynamic simulation of sulfur solubility in H2S system
Preview AbstractThe elemental sulfur solubility in sour gas plays an important role in H2S-rich gas reservoir development and transportation. While the solubility of elemental sulfur in sour gas can be measured in macroscopical respect, the interaction of solid deposition is not clear at microscale. In this work, molecular dynamic simulation (MD) was adopted to predict the solubility of elemental sulfur in hydrogen sulfide at nanoscale. It is found that the results of new nanoscale solubility model are close to the reported experimental data. The average relative error of the solubility of elemental sulfur in hydrogen sulfide by using the new model is 11.05% compared with the experimental data. Therefore, the new model can be used to predict the solubility of elemental sulfur in hydrogen sulfide.