Prediction of Surface Tension of Binary and Multicomponent Non-electrolyte Liquid Mixtures by UNIFAC Group Contribution Method

李志宝; 沈式泉; 史美仁; 时钧

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Prediction of Surface Tension of Binary and Multicomponent Non-electrolyte Liquid Mixtures by UNIFAC Group Contribution Method

更新时间：2025-12-16

- Prediction of Surface Tension of Binary and Multicomponent Non-electrolyte Liquid Mixtures by UNIFAC Group Contribution Method
- CIESC Journal Issue 1, (1991)
- 作者机构：
  
  南京化工学院化工系,南京化工学院化工系,南京化工学院化工系,南京化工学院化工系 ,南京,南京,南京,南京
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Online First：25 February 1991，
  
  Published：25 February 1991
- 稿件说明：
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李志宝, 沈式泉, 史美仁, et al. Prediction of Surface Tension of Binary and Multicomponent Non-electrolyte Liquid Mixtures by UNIFAC Group Contribution Method[J]. CIESC Journal, 1991, (1).
DOI：

李志宝, 沈式泉, 史美仁, et al. Prediction of Surface Tension of Binary and Multicomponent Non-electrolyte Liquid Mixtures by UNIFAC Group Contribution Method[J]. CIESC Journal, 1991, (1). DOI：

摘要

本文将Butler方程与UNIFAC模型相结合

建立了一个仅需纯液体摩尔体积V_i、表面张力σ_i和UNIFAC基团参数便能推算二元和多元液体混合物表面张力的新方法.用此法对100个二元体系、10个三元体系和2个四元体系的表面张力做了推算

二元和多元体系的总平均相对偏差相应为2.53%和5.33%

表明计算方法可靠

推算精度能满足工程设计要求.

Abstract

This paper introduces the UNIFAC group contribution approach into Butlers equation. A new method is set up to predict the surface tension of binary and multicomponent non-electrolyte systems

requiring only pure component properties and UNIFAC parameters. With the introduction of the activity coefficients γBi=αBi/xBi

γSi=αSi/xSi

Butlers equation may be transformed to give Here σm represents the surface tension of the mixture and σi the surface tension of pure component i. Ai is the molar surface area of component i and Ai its partial molar surface area in the solution

αBi

γBi and xBi stand for the activity

the activity coefficient and molar fraction of component i in the bulk liquid respectively and αSi

γSi and xSi for those 011 the surface layer of solution. N is the number of components. The value of Ai is set up equal to Ai which is calculated from the equation Ai=Vi2/3N01/3 where Vi is the liquid molar volume of pure component i and N0 Avogadros number. The bulk activity coefficients and surface activity coefficients are calculated with UNIFAC group contribution approach in a similar way. Predictions based on this approach agree well with experimental data for 100 binary

10 ternary and 2 quaternary systems. The total average relative deviations from experiment are 2.53% and 5.33% for binary and multicomponent systems respectively

within acceptable limit for engineering design.

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