Computational prediction of the critical micelle concentration (CMC) of surfactants using the non-Bornian solvation model-Reference-Cited by-同舟云学术

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Computational prediction of the critical micelle concentration (CMC) of surfactants using the non-Bornian solvation model

Published:2024 Issue:22 Volume:26 Page:16320-16326
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Osakai Toshiyuki¹^ORCID,Misaki Tomohiro¹,Eda Kazuo¹

Affiliation:

1. Department of Chemistry, Graduate School of Science, Kobe University, Nada, Kobe 657-8501, Japan

Abstract

The non-Bornian solvation model can be used to estimate the adsorption energies of a surfactant from oil and water phases. These adsorption energies are found to be useful for predicting the critical micelle concentration of surfactants.

Funder

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP00714J

Reference38 articles.

1. The energetics of micelle formation

2. Kagaku Binran Kisohen (Chemical Handbook Basic Edition) , ed. Y. Iwasawa , The Chemical Society of Japan, Maruzen , Tokyo , 5th edn, 2004 , p. 8.6

3. Molecular-Thermodynamic Prediction of Critical Micelle Concentrations of Commercial Surfactants

4. Molecular-Thermodynamic Theory of Micellization of pH-Sensitive Surfactants

5. Prediction of the Critical Micelle Concentration of Nonionic Surfactants by Dissipative Particle Dynamics Simulations

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