非离子表面活性剂在有机溶剂中的临界胶束浓度：用 UNIFAC 进行近似预测

Critical Micelle Concentrations of Nonionic Surfactants in Organic Solvents: Approximate Prediction with UNIFAC.

作者信息

Flores Maria Victoria, Voutsas Epaminondas C., Spiliotis Nikolaos, Eccleston Gill M., Bell George, Tassios Dimitrios P., Halling Peter J.

机构信息

Department of Pure and Applied Chemistry, University of Strathclyde, Thomas Graham Building, 295 Cathedral Street, Glasgow, Scotland, G1 1XL, United Kingdom

出版信息

J Colloid Interface Sci. 2001 Aug 1;240(1):277-283. doi: 10.1006/jcis.2001.7627.

DOI:10.1006/jcis.2001.7627

PMID:11446811

Abstract

The objective of this study was to model the critical micelle concentration (cmc) of nonionic surfactants in nonaqueous systems using the UNIFAC group contribution method. For the prediction of the cmc the phase separation approach was used, where the micellar phase is approximated as a second liquid phase resulting from the liquid-liquid equilibrium between the solvent and the surfactant, with the necessary activity coefficients predicted by UNIFAC. The limited amount of literature data for reverse micelle formation in nonaqueous systems was used to test the predictions, varying surfactant type, solvent, and temperature. The most promising model was the modified UNIFAC of B. L. Larsen, P. Rasmussen, and A. Fredenslund (Ind. Eng. Chem. Res. 26, 2274 (1987)). Since most nonionic surfactants contain oxyethylene chains, a new set of parameters was evaluated for this group, leading to satisfactory predictions. The average deviation between the predicted and the experimental cmc's was about 0.1 log units. Copyright 2001 Academic Press.

摘要

本研究的目的是使用UNIFAC基团贡献法对非水体系中非离子表面活性剂的临界胶束浓度（cmc）进行建模。为了预测cmc，采用了相分离方法，其中胶束相被近似为由于溶剂和表面活性剂之间的液-液平衡而产生的第二液相，其必要的活度系数由UNIFAC预测。利用非水体系中反胶束形成的有限文献数据来检验预测结果，改变表面活性剂类型、溶剂和温度。最有前景的模型是B.L.拉森、P.拉斯穆森和A.弗雷登斯隆改进的UNIFAC模型（《工业与工程化学研究》26, 2274 (1987)）。由于大多数非离子表面活性剂含有氧乙烯链，为此基团评估了一组新参数，得到了令人满意的预测结果。预测的cmc与实验cmc之间的平均偏差约为0.1对数单位。版权所有2001年学术出版社。