Prediction of Surface Tension Using COSMO-RS

IF 3.8 3区 工程技术 Q2 ENGINEERING, CHEMICAL
Martin P. Andersson, Nuradeen M. Hassan, Nayef M. Alsaifi
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引用次数: 0

Abstract

We developed a method for predicting surface tension using COSMO-RS. It is based on an empirical correction to the COSMO-RS-based method for predicting liquid–liquid interfacial tension. The method developed here allows for the predictions of surface tension and interfacial tension of gas–liquid systems from low to high pressures and gives good agreement with experiments for the surface tension of more than 50 single component liquids and 12 binary mixtures, including three surfactant solutions (one cationic, one anionic, and one nonionic). The mean absolute deviation for the single component surface tension predictions was <4 mN/m, and the average relative deviation was 11%. The maximum deviations were about −9 and +9 mN/m, which correspond to a maximum relative deviation of 28%. The temperature dependence of surface tension for several polar and nonpolar compounds was also well reproduced as was the general behavior of surfactants.

Abstract Image

用cosmos - rs预测表面张力
我们开发了一种使用cosmos - rs预测表面张力的方法。这是基于对基于cosmos - rs的液-液界面张力预测方法的经验修正。该方法可以预测低压到高压下气液体系的表面张力和界面张力,并与50多种单组分液体和12种二元混合物(包括三种表面活性剂溶液(一种阳离子、一种阴离子和一种非离子)的表面张力实验结果很好地吻合。单组分表面张力预测的平均绝对偏差为4 mN/m,平均相对偏差为11%。最大偏差约为- 9和+9 mN/m,最大相对偏差为28%。一些极性和非极性化合物的表面张力对温度的依赖性也很好地再现了,这是表面活性剂的一般行为。
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来源期刊
Industrial & Engineering Chemistry Research
Industrial & Engineering Chemistry Research 工程技术-工程:化工
CiteScore
7.40
自引率
7.10%
发文量
1467
审稿时长
2.8 months
期刊介绍: ndustrial & Engineering Chemistry, with variations in title and format, has been published since 1909 by the American Chemical Society. Industrial & Engineering Chemistry Research is a weekly publication that reports industrial and academic research in the broad fields of applied chemistry and chemical engineering with special focus on fundamentals, processes, and products.
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