PREDICTION OF THE SURFACE TENSION OF ORGANIC LIQUID MIXTURES BY GROUP CONTRIBUTION METHOD

李志宝; 沈式泉; 史美仁; 时钧

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PREDICTION OF THE SURFACE TENSION OF ORGANIC LIQUID MIXTURES BY GROUP CONTRIBUTION METHOD

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- PREDICTION OF THE SURFACE TENSION OF ORGANIC LIQUID MIXTURES BY GROUP CONTRIBUTION METHOD
- CIESC Journal Issue 4, (1993)
- 作者机构：
  
  南京化工学院化学工程研究所,南京化工学院化学工程研究所,南京化工学院化学工程研究所,南京化工学院化学工程研究所南京210009,南京210009,南京210009,南京,210009
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Online First：25 August 1993，
  
  Published：25 August 1993
- 稿件说明：
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李志宝, 沈式泉, 史美仁, et al. PREDICTION OF THE SURFACE TENSION OF ORGANIC LIQUID MIXTURES BY GROUP CONTRIBUTION METHOD[J]. CIESC Journal, 1993, (4).
DOI：

李志宝, 沈式泉, 史美仁, et al. PREDICTION OF THE SURFACE TENSION OF ORGANIC LIQUID MIXTURES BY GROUP CONTRIBUTION METHOD[J]. CIESC Journal, 1993, (4). DOI：

摘要

本文在作者曾经提出的推算液体混合物表面张力计算方法的基础上

考查了不同纯组分摩尔表面积的计算公式对液体混合物表面张力推算精度的影响.通过对100个二元体系、10个三元体系和2个四元体系的推算

找到了合适的计算公式.二元体系、多元体系的推算偏差分别为2.45%和4.42%

对于非含一元醇-水体系

式(3)为好

其偏差为2.45%

对含一元醇-水体系式(6)有明显的改善

其推算偏差为6.98%.

Abstract

In an earlier study

we proposed a new method in which the surface tensionsof mixtures of organic non-electrolytes are predicted successfully by the well-kn own UNIFAC group contribution method used in phase equilibrium calculations. In this paper

four different molar surface area equations are investigated with respect to precision of surface tension prediction by the use of our proposed method of applying UNIFAC model. Different molar surface area equations are given as: Ai=Ai = ViB2/3NA1/3 (1) Ai=Ai = 1.21ViB2/3NA1/3 (2) Ai=Ai = ViB4/15Vic2/5NA1/3 (3) Ai=Ai = 1.21ViB4/15Vic2/5NA1/3 (4) where Ai and Ai are the molar surface area and the partial molar surface area of component i respectively

ViB is the liquid molar volume of pure component i

NA is Avogadros number

and Vic is the critical molar volume of component i. The surface tensions of 100 binary

10 ternary and 2 quaternary systems are calculated with the above equations. Comparing calculated values vith experimental data

we conclude that equation(4) is the best for the systems containing both water and alcohols. The total average relative deviations from experiment are 6.98% for 6 systems containing both water and alcohols. These results are satisfactory for engineering design.

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