Abstract The adsorption of benzene (B), toluene (T), and p-xylene (X) at ambient temperature in carbon slit pores was studied using the grand canonical Monte Carlo simulation. We focused on how the structure of the adsorbed B, T, and X molecules is influenced by pore size, in particular the effects of the methyl groups in the cases of toluene and p-xylene. The packing density of the compounds in the pores was found to follow the order B

中文翻译：

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苯、甲苯和对二甲苯在碳狭缝孔中的吸附和结构：蒙特卡罗模拟研究

摘要 使用正则蒙特卡罗模拟研究了常温下苯 (B)、甲苯 (T) 和对二甲苯 (X) 在碳狭缝孔中的吸附。我们关注吸附的 B、T 和 X 分子的结构如何受孔径影响，特别是甲基在甲苯和对二甲苯的情况下的影响。发现化合物在孔隙中的堆积密度遵循 B 阶