Gibbs Enmble Monte Carlo Simulation of LJ Fluid in Cylindrical Pore with Energetically
Heterogeneous Surface祝妈妈健康长寿
期刊名称： Molecular Simulation
作者：
画鼻子作文Tatsuhiko,Miyata*,Akira,Endo,Takuji,Yamamoto,Takao,Ohmori,Takaji,Akiya,Masaru,Nakaiwa
作者机构： Rearch
年份： 2004年
祖国祖国
期号： 第6期
知识网络图关键词： Monte Carlo simulation;Lennard–Jones potentials;Isotherm and mean
density;Energetic heterogeneity effect
摘要：The energetic heterogeneity effect of a solid surface on the pha behavior of a confined fluid within a narrow cylindrical pore was studied by means of Gibbs Enmble Monte Carlo (GEMC) and canonical enmble Monte Carlo (MC) simulations. The
energetic heterogeneity was modeled as a local adsorbing site, and all the interactions considered were described by Lennard–Jones (LJ) potentials, i.e. 12–6 and 9–3 type. From the changes in the apparent shapes of isotherms, energetic heterogeneity on the solid surface was found to smear the pha transition region. The energetic heterogeneity of
指导青年教师总结the solid internal surface caus an additive effect to pull the fluid particles toward the
仰卧臂屈伸
solid surface in the entire relative pressure region, leading to higher packing of the fluid particle layered in the vicinity of the pore wall
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