Soil water adsorption strength represents the changing rate of adsorptive water content with regard to soil suction or water potential changes, dictating the magnitude of the soil water-retention curve at the dry end. Non-isothermal conditions are frequently encountered in energy and environmental geotechnics, posing the requirement to assess temperature effects on soil water adsorption strength. Yet, it remains challenging in assessing the temperature effects at the high suction range due to limitations in available experimental techniques. Here, the grand canonical Monte Carlo (GCMC) simulation was explored as a method to address this challenge. A series of GCMC simulations has been performed to assess the temperature effect on the external surface adsorption of three representative soil minerals – that is, K-muscovite, Na-montmorillonite and α-quartz. Molecular simulation results preliminarily reveal that the water adsorption strength of the external surface of these soil minerals only demonstrates marginal dependence on temperature. This observation is consistent with experimental results, substantiating the feasibility of the proposed method.

中文翻译：

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通过分子模拟评估土壤水分吸附强度的温度依赖性

土壤水分吸附强度代表吸附水含量相对于土壤吸力或水势变化的变化率，决定了干燥端土壤保水曲线的大小。在能源和环境岩土工程中经常遇到非等温条件，因此需要评估温度对土壤水分吸附强度的影响。然而，由于现有实验技术的限制，在高吸力范围内评估温度影响仍然具有挑战性。在这里，探索了大规范蒙特卡洛 (GCMC) 模拟作为解决这一挑战的方法。已经进行了一系列 GCMC 模拟来评估温度对三种代表性土壤矿物质（即钾白云母、钠蒙脱石和α-石英。分子模拟结果初步表明，这些土壤矿物质外表面的吸水强度仅表现出对温度的边际依赖性。这一观察结果与实验结果一致，证实了所提出方法的可行性。