From micelle to microemulsion: an investigation of structural changes using molecular dynamics
Abstract
Objective Although a huge number of experimental works may be observed in the literature for microemulsions, modelling reports onthese nano-systems are rare. Additionally, no comprehensive work so far has detailed the changes occurring to a micellar droplet when oilmolecules are introduced (i.e. obtaining microemulsions from micelles). This work aimed to simulate a micelle and a microemulsion systemcontaining polysorbate 80 - as surfactant - and study the structural changes in the two systems.Methods Molecular dynamics simulation employing a coarse-grained model was used.Results The results showed that the oil molecules located in the hydrophobic core of the micelle make its size larger, while the co-surfactantmolecules distribute throughout the system and enter the hydrophilic shell of the micelle.Conclusion It was shown that insertion of oil molecules makes the droplets more spherical, while co-surfactants tend to enlarge them.
Published
2015-03-26
How to Cite
AMANI, Amir; AMANI, Milad.
From micelle to microemulsion: an investigation of structural changes using molecular dynamics.
Journal of Contemporary Medical Sciences, [S.l.], v. 1, n. 1, p. 1-6, mar. 2015.
ISSN 2413-0516.
Available at: <http://www.jocms.org/index.php/jcms/article/view/57>. Date accessed: 23 jan. 2021.
Section
Articles
Keywords
microemulsion, polysorbate 80, molecular dynamics, structural changes

This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.