估算纯物质液体表面张力方法的研究及评价  

Research and evaluate methods for estimating pure liquid surface tension of compounds

作　　者：刘志刚[1] 于萌萌[1] 王建平[2] 孙晓岩[1] 项曙光[1] 

机构地区：[1]青岛科技大学过程系统工程研究所,山东青岛266042 [2]石化盈科信息技术有限责任公司上海分公司,上海200120

出　　处：《计算机与应用化学》2017年第5期383-387,共5页Computers and Applied Chemistry

基　　金：国家自然科学基金资助项目(21176127)

摘　　要：表面张力是有机物的重要物性数据之一,也是化工过程模拟与优化建模中不可或缺的参数。尽管文献中有部分化合物表面张力的实验值,但很多物质的表面张力不便于由实验获得,往往是通过建立数学模型或经验关联式进行估算。本文主要对估算纯物质液体表面张力的方法进行归纳和研究,并对一些方法存在的问题进行了说明。首先介绍了Macleod-Sugden法、Sastri-Rao法、Brock-Bird法和Pitzer法估算表面张力的原理、优缺点及应用范围;然后利用这些方法对随机选取的100种化合物的表面张力值进行估算,将这些估算值再与温度关联式所计算的结果进行比较,结果表明Sastri-Rao法估算表面张力较之其它方法精确。The surface tension is one of the most important properties for organic compounds and it is an important parameter for chemical process simulation and optimization modeling Although there are some experimental values of the surface tension in the literatures, but there are many surface tension of the materials is not easy to be obtained by experiment. In this paper, the surface tension have been obtained by establishing the mathematical models. A variety of methods for estimating surface tension of organic compounds have been summarized. The principles, advantages and disadvantages, application ranges of Macleod-Sugden method, Sastri-Rao method, Brock-Bird method and Pitzer method have been discussed. The results obtained by using these methods to calculate 100 kinds of compounds which were acquired randomly and then compared with the temperature correlation values. Sastri-Rao method is a more accurate method to estimate the surface tension.

关 键 词：表面张力 方法 评价 

分 类 号：TQ015.9[化学工程] TP391.9[自动化与计算机技术—计算机应用技术]