在线阅读 --自然科学版 2011年3期《球形空腔中缔合Lennard-Jones流体的平衡结构和界面张力》
球形空腔中缔合Lennard-Jones流体的平衡结构和界面张力--[在线阅读]
孙宗利1, 康艳霜2
1. 华北电力大学科技学院, 河北保定 071051;
2. 河北农业大学理学院, 河北保定 071001
起止页码: 259--264页
DOI:
摘要
基于经典密度泛函理论(DFT),研究了处于球形空腔中缔合Lennard-Jones流体的平衡结构和界面张力.分别讨论和分析了温度、缔合强度、缔合点数目以及截断半径对体系的平衡结构和界面张力的影响.结果表明:温度的降低和缔合能的增强导致密度分布振荡的减弱;温度的升高使得缔合点数目对结构的影响变弱;缔合点的增加使得缔合能对界面强力的影响更加显著.

Equilibrium Structures and Interfacial Tension of Associating Lennard-Jones Fluids in Spherical Cavity
SUN Zongli1, KANG Yanshuang2
1. Science and Technology College, North China Electric Power University, Hebei Baoding 071051, China;
2. College of Sciences, Agriculture University of Hebei, Hebei Baoding 071001, China
Abstract:
Based on the classical density functional theory(DFT),the equilibrium structures and interfacial tension of associating Lennard-Jones fluids confined in hard spherical cavity are investigated.The influences of temperature,associating strength,number of associating sites and the cut-off radius on density profiles and interfacial tension are discussed respectively.The results suggest that the lower temperature and stronger association energy lead to the reduction of the oscillation of density profiles,the influence of asslciation site on the structure is weakened in the case of higher temperature,the dependence of interfacial tension on association energy is more obvious when the number of association site is increased.

收稿日期: 2010-9-20
基金项目: 华北电力大学校内科研基金(200911036)

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