用软核微扰理论改进马丁-侯状态方程  

Improving Martin Hou Equation of State with Soft Core Perturbation Theory

作　　者：张秉坚[1] 宋跃群[1] 侯虞钧 

机构地区：[1]浙江大学化学系

出　　处：《高校化学工程学报》1997年第1期15-19,共5页Journal of Chemical Engineering of Chinese Universities

基　　金：浙江省自然科学基金

摘　　要：采用Ｂａｒｋｅｒ－Ｈｅｎｄｅｒｓｏｎ软核微扰理论的方法改进马丁－侯状态方程，在“多方阱”微扰势的基础上引入一简单的“软排斥”势，导出了方程体积参数ｂ与温度的函数关系以及新的常数的计算公式。使马丁－侯方程各参数的物理意义得到进一步解释，初步计算表明改进后的马丁－侯方程的计算精确度有所提高。Barker and Henderson′s soft core perturbation theory is used to improve the Martin Hou equation of state. In addition to multi square well perturbation potential a soft repulsion reference potential is employed and an approximate expression of soft core diameter as a function of temperature is obtained. The results calculated from the equation of state are in good agreement with experimental data.

关 键 词：状态方程 微扰理论 软核 马丁-侯 

分 类 号：O642.1[理学—物理化学]