作者
William C Swope, Michael A Johnston, Andrew Ian Duff, James L McDonagh, Richard L Anderson, Gabriela Alva, Andy T Tek, Alexander P Maschino
发表日期
2019/1/18
期刊
The Journal of Physical Chemistry B
卷号
123
期号
7
页码范围
1696-1707
出版商
American Chemical Society
简介
We wished to compile a data set of results from the experimental literature to support the development and validation of accurate computational models (force fields) for an important class of micelle-forming nonionic surfactant compounds, the poly(ethylene oxide) alkyl ethers, usually denoted CnEm. However, careful examination of the experimental literature exposed a striking degree of variation in values reported for critical micelle concentrations (cmc) and mean aggregation numbers (Nagg). This variation was so large that it masked important trends known to exist within this family of molecules, thereby rendering most of the literature data to be of limited utility for force field development. In this work, we describe some reasons for the wide variability in the experimental literature, and we present a set of cmc and aggregation number data for 12 CnEm compounds that we feel is appropriate to use for the …
引用总数
201920202021202220232024468472
学术搜索中的文章