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

作　　者：ZHOUShi-Qi 

机构地区：[1]ResearchInstituteofModernStatisticalMechanics,ZhuzhouInstituteofTechnology,Zhuzhou412008,China

出　　处：《Communications in Theoretical Physics》2005年第4期735-742,共8页理论物理通讯（英文版）

基　　金：国家自然科学基金

摘　　要：A statistical mechanics method is proposed for calculation of potential ofmean force (PMF). In the case of solvophobic or solvophilic macroparticles immersed in solvent bathof soft sphere or Lennard-Jones particles, prediction accuracy for the PMF and MF from the simplestimplementation of the proposed method, where hypernetted chain approximation is adopted forcorrelation of the macroparticle-macroparticle at infinitely dilute limit, is comparable to that ofa recent more sophisticated approach based on mixture Ornstein—Zernike integral equation / bridgefunction from fundamental measure functional. Adaptation of the present method for general complexQuids is discussed, and method for improving the accuracy is suggested. Differences and relativemerits of the present recipe compared with that based on potential distribution theory is discussed.

关 键 词：potential of mean force COLLOID density functional theory 

分 类 号：O648[理学—物理化学]