汽液相平衡计算混合法则中协体积项b的改进

doi:10.11949/j.issn.0438-1157.20140972

化工学报 ›› 2015, Vol. 66 ›› Issue (2): 489-496.DOI: 10.11949/j.issn.0438-1157.20140972

汽液相平衡计算混合法则中协体积项b的改进

韩晓红, 管文洁, 高赞军, 崔晓龙, 徐象国, 陈光明

浙江大学制冷与低温研究所, 浙江杭州 310027

收稿日期:2014-06-27 修回日期:2014-11-21 出版日期:2015-02-05 发布日期:2015-02-05
通讯作者: 韩晓红
基金资助:
国家自然科学基金项目(51176166);中央高校基本科研业务费专项资金(2013QNA4014)。

Modification of co-volume parameter b in mixing rule for calculating vapor liquid equilibrium

HAN Xiaohong, GUAN Wenjie, GAO Zanjun, CUI Xiaolong, XU Xiangguo, CHEN Guangming

Institute of Refrigeration and Cryogenics, Zhejiang University, Hangzhou 310027, Zhejiang, China

Received:2014-06-27 Revised:2014-11-21 Online:2015-02-05 Published:2015-02-05
Supported by:
supported by the National Natural Science Foundation of China (51176166) and the Fundamental Research Funds for the Central Universities (2013QNA4014).

摘要/Abstract

摘要：

混合物汽液相平衡通常需要引入合适的混合法则才能更好地进行关联。针对目前混合法则中协体积项b的改进提出了一种新的修正协体积项b的方法。该方法以Mie势能理论、London色散力理论为基础,同时引入Leach等分子形状系数进行修正,这样协体积项b中的交互作用参数l_ij形式上是纯组分分子形状系数θ和φ及临界参数的函数,无需实验数据拟合得到,从而真实反映了二元混合物的实际混合情况。将修正的协体积项b运用于MHV1、LCVM及HV混合法则并结合PR NRTL模型对不同种类的16个体系汽液相平衡进行了计算,并与采用b ∑x_ib_i的MHV1、LCVM及HV混合法则结合PR NRTL模型计算的结果进行比较,结果表明运用修正的协体积项b的混合法则+PR+NRTL模型所得的计算结果精度优于采用b ∑x_ib_i的MHV1、LCVM及HV混合法则 PR NRTL模型的计算结果。

关键词: 混合法则, 汽液平衡, 协体积, 交互作用参数, 状态方程, 模型

Abstract:

To get better correlation results of vapor liquid equilibrium (VLE) of mixture systems, it is usually necessary to select the suitable mixing rule. The modifications of force parameter a have obtained good results in both theory and application. However, the research on co-volume parameter b is less and usually empirical. A new modified method for co-volume b was presented. In the revised mixing rule, the molecular shape factors obtained from Leach et al were introduced to amend co-volume b on the basis of Mie potential-energy and London dispersion theory. Thus, the interactive parameter l_ij in co-volume b was dependent on the molecular shape factors θ, φ, and critical parameters of the components. Without experimental data, molecular shape factors and interactive parameter l_ij could be obtained, which could be used to reflect the actual situations of mixture systems. The VLE calculation results for 16 kinds of different systems were given by using modified co-volume parameter b in MHV1/LCVM/HV mixing rules combined with PR EOS and NRTL models, and the results were compared with the results of using b ∑x_ib_i in MHV1/LCVM/HV mixing rule combined with PR EOS and NRTL models. The models with the modified co-volume b were better than those with b ∑x_ib_i to some extent.

Key words: mixing rule, vapor liquid equilibrium, co-volume, interaction parameter, equation of state, model

中图分类号:

TQ013.1

韩晓红, 管文洁, 高赞军, 崔晓龙, 徐象国, 陈光明. 汽液相平衡计算混合法则中协体积项b的改进[J]. 化工学报, 2015, 66(2): 489-496.

HAN Xiaohong, GUAN Wenjie, GAO Zanjun, CUI Xiaolong, XU Xiangguo, CHEN Guangming. Modification of co-volume parameter b in mixing rule for calculating vapor liquid equilibrium[J]. CIESC Journal, 2015, 66(2): 489-496.

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汽液相平衡计算混合法则中协体积项b的改进

Modification of co-volume parameter b in mixing rule for calculating vapor liquid equilibrium

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