Statistical theory for hydrogen bonding fluid system of A_aD_d type(Ⅲ):Equation of state and fluctuations  

作　　者：WANG HaiJun1,2,GU Fang1,HONG XiaoZhong3 & BA XinWu1 1 College of Chemistry and Environment Science,Hebei University,Baoding 071002,China 2 International Center for Materials Physics,Chinese Academy of Sciences,Shenyang 110016,China 3 College of Physics Science and Technology,Hebei University,Baoding 071002,China 

出　　处：《Science China Chemistry》2007年第2期183-189,共7页中国科学（化学英文版）

基　　金：Supported by the National Natural Science Foundation of China (Grant Nos. 20303006 and 20574016);the Natural Science Foundation of Hebei Province (Grant Nos. B2006000959 and B2004000093);the Natural Science Foundation of Edu-cation Committee of Hebei Province (Grant No. 2003101)

摘　　要：The equation of the state of the hydrogen bonding fluid system of AaDd type is studied by the principle of statistical mechanics. The influences of hydrogen bonds on the equation of state of the system are obtained based on the change in volume due to hydrogen bonds. Moreover,the number density fluc-tuations of both molecules and hydrogen bonds as well as their spatial correlation property are inves-tigated. Furthermore,an equation describing relation between the number density correlation function of "molecules-hydrogen bonds" and that of molecules and hydrogen bonds is derived. As application,taking the van der Waals hydrogen bonding fluid as an example,we considered the effect of hydrogen bonds on its relevant statistical properties.The equation of the state of the hydrogen bonding fluid system of AaDd type is studied by the principle of statistical mechanics. The influences of hydrogen bonds on the equation of state of the system are obtained based on the change in volume due to hydrogen bonds. Moreover,the number density fluc-tuations of both molecules and hydrogen bonds as well as their spatial correlation property are inves-tigated. Furthermore,an equation describing relation between the number density correlation function of “molecules-hydrogen bonds” and that of molecules and hydrogen bonds is derived. As application,taking the van der Waals hydrogen bonding fluid as an example,we considered the effect of hydrogen bonds on its relevant statistical properties.

关 键 词：hydrogen BONDING fluid equation of state FLUCTUATION correlation effect 

分 类 号：O641.1[理学—物理化学]