引用本文:
张小岗, 郭向云, 钟炳, 彭少逸. 甲醇在超临界环已烷中形成簇团的Monte Carlo初探[J]. 物理化学学报,
1997, 13(10): 898-903.
doi:
10.3866/PKU.WHXB19971007
Citation: Zhang Xiao-Gang, Guo Xiang-Yun, Zhong Bing, Peng Shao-Yi. Monte Carlo Study of Methanol Clusters in Supercritical Cyclohexane System[J]. Acta Physico-Chimica Sinica, 1997, 13(10): 898-903. doi: 10.3866/PKU.WHXB19971007
Citation: Zhang Xiao-Gang, Guo Xiang-Yun, Zhong Bing, Peng Shao-Yi. Monte Carlo Study of Methanol Clusters in Supercritical Cyclohexane System[J]. Acta Physico-Chimica Sinica, 1997, 13(10): 898-903. doi: 10.3866/PKU.WHXB19971007
甲醇在超临界环已烷中形成簇团的Monte Carlo初探
摘要:
用Monte Carlo方法研究了甲醇-环己烷体系的微观结构随压力（密度）的变化情况，结果表明，在临界区域甲醇分子的聚集最为明显，形成的甲醇团簇尺寸最大，溶剂分子在甲醇周围的局部密度则在低于临界区或亚临界区较大.
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关键词:
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甲醇-环已烷体系
- / Monte Carlo方法
- / 团簇
English
Monte Carlo Study of Methanol Clusters in Supercritical Cyclohexane System
Abstract:
The microscopic structures of methanol-cyclohexane system at different pressures are studied by the Monte Carlo method, and the results show that the significant aggregation of methanol molecules and methanol clusters with the largest size are found in the vicinity of the solution's critical point. It is also found that the enhanced solute-solvent clustering occurs below the solution's critical point or subcritical point.
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Key words:
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Methanol-cyclohexane system
- / Monte carlo method
- / Clusters
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