Abstract A practical potential equation for mercury was developed, by incorporating the long-ranged interaction and multi-body effects into the temperature-dependent dispersion parameters, to describe the thermodynamic properties of the liquid-vapour equilibrium and adsorption in carbonaceous materials. The collision diameter (σ) decreases and the well depth of interaction energy (e) increases with temperature, with the product σ6e (a measure of attraction) decreasing with temperature. The critical temperature derived from this model, 1745 K, agrees well with the experimental value of 1751 K, and the wetting temperature of mercury on graphite was found to be 1600 K, supporting the fact that mercury does not wet carbon under ambient conditions. Furthermore, it was illustrated with mercury can fill ultrafine graphitic slit pores, whose widths less than 0.7 nm, under ambient temperatures, because of the enhancement of the solid-fluid potential and the strong intermolecular interactions, and the simulation results qualitatively agree well with experimental data.

中文翻译：

---

描述活性炭中气液平衡和吸附的汞的温度相关电位模型

摘要 通过将长程相互作用和多体效应纳入温度相关的分散参数，开发了一个实用的汞潜在方程，以描述碳质材料中液气平衡和吸附的热力学性质。碰撞直径 (σ) 减小，相互作用能的阱深 (e) 随温度增加，而乘积 σ6e（吸引力的量度）随温度减小。从该模型导出的临界温度 1745 K 与实验值 1751 K 非常吻合，并且发现汞对石墨的润湿温度为 1600 K，支持汞在环境条件下不润湿碳的事实。此外，它还说明了汞可以填充超细石墨狭缝孔，