Quantitative Description of Potential of Mean Force Between Macroparticles in Fluid with Attactive Forces

A statistical mechanics method is proposed for calculation of potential of mean force (PMF). In the case of solvophobic or solvophilic macroparticles immersed in solvent bath of soft sphere or Lennard-Jones particles, prediction accuracy for the PMF and MF from the simplest implementation of the proposed method, where hypernetted chain approximation is adopted for correlation of the macroparticle-macroparticle at infinitely dilute limit, is comparable to that of a recent more sophisticated approach based on mixture Ornstein-Zernike integral equation / bridge function from fundamental measure functional. Adaptation of the present method for general complex fluids is discussed, and method for improving the accuracy is suggested. Differences and relative merits of the present recipe compared with that based on potential distribution theory is discussed.

作 者： ZHOU Shi-Qi   作者單位： Research Institute of Modern Statistical Mechanics, Zhuzhou Institute of Technology, Zhuzhou 412008, China  刊 名： 理論物理通訊（英文版）  ISTIC SCI 英文刊名： COMMUNICATIONS IN THEORETICAL PHYSICS  年，卷(期)： 2005 43(4)  分類號：   關(guān)鍵詞： potential of mean force   colloid   density functional theory  

【Quantitative Description of Potentia】相關(guān)文章：

什么是Description04-28

QUANTITATIVE STUDY OF SOIL EROSION AND ELEMENT RUN-OFF IN THE SONGHUA LAKE VALLEY04-27

Holographic quantitative structure-activity relationship for prediction acute toxicity of benzene derivatives to the gup04-26

Conditional and unconditional mapping of quantitative trait loci underlying plant height and tiller number in rice (Oryz04-26