Hydrogen sulfide (H2S) in acid gas reservoirs is an important source of sulfur deposition in rock reservoirs. Studying the adsorption behavior of H2S in calcite slit-like pore is of great significance for predicting the amount of sulfur in natural gas. In this paper, the grand canonical Monte Carlo (GCMC) method is used to investigate the adsorption of H2S in calcite with slit-like pore. Moreover, the effects of different pressures, temperatures and pore sizes on the adsorption characteristics are discussed. The results showed that the adsorption of H2S goes up with the increasing of the pressure and gradually reaches a saturation level. And the adsorption of H2S decreases with the increasing of the temperature. The excess adsorption of H2S first increases and then decreases with the increasing of the pressure. The effect of the size on the excess adsorption capacity changes with the pressure. Meanwhile, the peak of the adsorbate near the surface of the adsorbent shows a nonmonotonic trend with the pressure.

中文翻译：

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方解石狭缝状孔中H2S吸附特性的分子模拟

硫化氢（H2S) 酸性气藏中的硫是岩石储层中硫沉积的重要来源。研究 H 的吸附行为2方解石狭缝状孔隙中的S对于预测天然气中的硫含量具有重要意义。在本文中，使用大规范蒙特卡罗（GCMC）方法研究H的吸附2方解石中的 S，具有狭缝状孔隙。此外，还讨论了不同压力、温度和孔径对吸附特性的影响。结果表明，H 的吸附2S随着压力的增加而上升并逐渐达到饱和水平。和 H 的吸附2S随温度升高而减小。H 的过量吸附2S随压力的增大先增大后减小。尺寸对过量吸附容量的影响随压力的变化而变化。同时，吸附剂表面附近的吸附质峰随压力呈非单调趋势。