The Application and Comparison of Four Activity Coefficient Models in Vapor-Liquid Equilibrium and Distillation Calculations

郭天民; 钟银珠; 李再琮

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The Application and Comparison of Four Activity Coefficient Models in Vapor-Liquid Equilibrium and Distillation Calculations

更新时间：2025-12-16

- The Application and Comparison of Four Activity Coefficient Models in Vapor-Liquid Equilibrium and Distillation Calculations
- CIESC Journal Issue 2, (1980)
- 作者机构：
  
  华东石油学院,上海计算技术研究所,上海高桥化工厂
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Online First：25 June 1980，
  
  Published：25 June 1980
- 稿件说明：
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郭天民, 钟银珠, 李再琮. The Application and Comparison of Four Activity Coefficient Models in Vapor-Liquid Equilibrium and Distillation Calculations[J]. CIESC Journal, 1980, (2).
DOI：

郭天民, 钟银珠, 李再琮. The Application and Comparison of Four Activity Coefficient Models in Vapor-Liquid Equilibrium and Distillation Calculations[J]. CIESC Journal, 1980, (2). DOI：

摘要

作者将最近十余年来发展的四种活度系数模型（Wilson、NRTL、McCann和UNIFAC）与维里方程及三对角矩阵法相结合

成功地应用于各类非理想溶液精馏过程的严格计算。所编的NIDISTL精馏计算程序曾先后对33个精馏系统进行过百余次考核运算。为对这些活度系数模型作一平行的比较

本文选取了18组二元汽-液平衡实验数据

用非线性最小二乘法分别确定Wilson、NRTL和McCann方程中各对二元参数值。所得参数值被应用于预测18组二元系和8组由此导出的多元系泡点汽-液平衡数据

并与UNIFAC官能团模型的预测结果及实验数据作比较。通过四个精馏计算的示例

可以说明采用下同活度系数模型时的收敛特性和计算结果是一致的。本文对各模型所算得的温度、流量和组成分布作了比较

并就某些情况下可能出现较大偏离的原因进行了讨论。

Abstract

The four well-known activity coefficient models (Wilson

NKTL

McCann and UN1FAC)

coupled with virial equation and tridiagonal matrix method

have been successfully applied to the vigorous computation of various non-ideal distillation processes. The N1DISTL program developed by authors has been tested for 33 distillation systems

with more than on hundred calculations performed. To make a parallel comparison of these activity coefficient models

18 sets of binary vapor-liquid equilibrium data were chosen

each set was fitted to Wilson

NRTL and McCann equations respectively by using non-linear least square technique. The binary parameters so determined were used to predict the bubble point equilibrium data of 18 binary and 8 derived multicomponent systems. The predictions of four models were compared with experimental data. To illustrate the consistency of distillation calculation results using different activity coefficient models

four examples were presented. The temperature

flow rate and composition profiles calculated were compared and the cause of discrepancy in some cases were discussed.

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