Quantitative Description of Potential of Mean Force Between Macroparticles in Fluid with A

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

Attactive Forces

ZHOU Shi-Qi

【期刊名称】《《理论物理通讯（英文版）》》 【年(卷),期】2005(043)004

【摘要】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. 【总页数】8页(735-742)

【关键词】potential of mean force; colloid; density functional theory 【作者】ZHOU Shi-Qi