The development of shale gas reservoirs with water-based drilling fluids is complicated by the problem of clay mineral hydration. The method of molecular simulation is widely used in many research fields, in both humanitarian and material sciences. In this paper, based on the previously published studies, the authors propose a comprehensive review of molecular simulation of inhibiting the surface hydration swelling of clay minerals. Swelling characteristics and the adsorption properties of clay minerals are reviewed and discussed. The results can be useful for future development of the MD (molecular dynamics) simulation method and its application in studies of inhibition of the surface hydration swelling in clay minerals.

粘土矿物水化问题使使用水基钻井液开发页岩气藏变得复杂。分子模拟方法广泛应用于人道主义和材料科学的许多研究领域。本文在前人发表研究的基础上，对抑制黏土矿物表面水化膨胀的分子模拟提出了全面的综述。对黏土矿物的膨胀特性和吸附特性进行了综述和讨论。该结果可用于MD（分子动力学）模拟方法的未来发展及其在粘土矿物表面水化膨胀抑制研究中的应用。