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Updated: Jun 25, 2025

Extraction and Characterization of Surfactants from Atmospheric Aerosols
Published on: April 21, 2017
Computational prediction of the critical micelle concentration (CMC) of surfactants using the non-Bornian solvation
Toshiyuki Osakai1, Tomohiro Misaki1, Kazuo Eda1
1Department of Chemistry, Graduate School of Science, Kobe University, Nada, Kobe 657-8501, Japan. toshiyukiosakai88@gmail.com.
Abstract:
The non-Bornian solvation model was used to predict the Gibbs energy change for the adsorption-desorption processes of ionic (14 anionic and 9 cationic) surfactants and 19 non-ionic surfactants at the interface between oil (O) (=nitrobenzene) and water (W). Except for 10 non-ionic surfactants (polyoxyethylenes) having semi-hydrophobic -OC2H4- groups, both ionic and non-ionic surfactants showed a clear energy minimum in their adsorption-desorption processes, providing reliable values of Gibbs energies, and , for the two adsorption processes from their respective bulk phases to the interface (I). It was then found that the critical micelle concentration (CMC) for surfactants (especially for the ionic ones) is linearly related to the two independent variables, i.e., and .
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