高等学校化学学报

高等学校化学学报 ›› 2011, Vol. 32 ›› Issue (7): 1567.

• 研究论文 • 上一篇    下一篇

缔合流体中胶体粒子间耗尽势的密度泛函理论研究

顾芳1,王海军1,2,3   

  1. 1. 河北大学化学与环境科学学院,
    2. 教育部药物化学与分子诊断重点实验室, 保定 071002;
    3. 中国科学院国际材料物理中心, 沈阳 110016
  • 收稿日期:2011-01-14 修回日期:2011-04-09 出版日期:2011-07-10 发布日期:2011-06-02
  • 通讯作者: 王海军 E-mail:whj@mail.hbu.cn
  • 基金资助:

    国家自然科学基金(批准号: 20873035)资助.

Depletion Potential Between Two Colloid Particles in an Associating Fluid: a Density Functional Theory Study

GU Fang1, WANG Hai-Jun1,2,3*   

  1. 1. College of Chemistry and Environmental Science,
    2. Key Laboratory of Medical Chemistry and Molecular Diagnosis, Ministry of Education, Hebei University, Baoding 071002, China;
    3. International Center for Materials Physics, Chinese Academy of Sciences, Shenyang 110016, China
  • Received:2011-01-14 Revised:2011-04-09 Online:2011-07-10 Published:2011-06-02
  • Contact: WANG Hai-Jun E-mail:whj@mail.hbu.cn
  • Supported by:

    国家自然科学基金(批准号: 20873035)资助.

PDF (PC)

被引次数

5

摘要： 本文基于Roth、Evans和Dietrich有关耗尽势的密度泛函理论研究了缔合流体中胶体粒子间的耗尽势. 通过计算在不同条件下两个胶体粒子间的耗尽势, 进一步分析了缔合流体中相关因素对耗尽势的影响. 结果表明, 溶剂分子的体相密度、胶体粒子与溶剂分子的尺寸比率、溶剂分子的官能度和缔合强度以及胶体粒子与溶剂分子之间的弱相互作用等因素均可对胶体粒子间耗尽势产生显著影响.

关键词: 耗尽势, 密度泛函理论, 胶体, 缔合流体

Abstract: The depletion potential between two colloid particles immersed in an associating fluid is investigated by the classical density functional theory for depletion potential proposed by Roth, Evans and Dietrich. An attempt is made to obtain the effects of several factors concerning colloid particles and solvent molecules on the depletion potential, which are the bulk density of solvent, size ratio of colloid particle to solvent, functionality of solvent and its associated energy, and the interaction between colloid particle and solvent. With the depletion potential under various conditions being presented, it is shown that the effects of these factors on the depletion potential are significant, and this can provide some useful clues on regulating the interaction between colloid particles in the related experiments.

Key words: Depletion potential, Density functional theory, Colloid particle, Associating fluid

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