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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Investigating the spontaneous formation of SDS micelle in aqueous solution using a coarse-grained force field

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Author(s):
Pires, Jose Maria [1] ; de Moura, Andre F. [2] ; Freitas, Luiz C. G. [2]
Total Authors: 3
Affiliation:
[1] Univ Fed Espirito Santo, Dept Fis, BR-29075910 Vitoria, ES - Brazil
[2] Univ Fed Sao Carlos, Dept Quim, BR-13565905 Sao Carlos, SP - Brazil
Total Affiliations: 2
Document type: Journal article
Source: Química Nova; v. 35, n. 5, p. 978-U352, 2012.
Web of Science Citations: 5
Abstract

A 1µs Molecular Dynamic simulation was performed with a realistic model system of Sodium Dodecyl Sulfate (SDS) micelles in aqueous solution, comprising of 360 DS-, 360 Na+ and 90000 water particles. After 300 ns three different micellar shapes and sizes 41, 68 and 95 monomers, were observed. The process led to stabilization in the total number of SDS clusters and an increase in the micellar radius to 2.23 nm, in agreement with experimental results. An important conclusion, is be aware that simulations employed in one aggregate, should be considered as a constraint. Size and shape distribution must be analyzed. (AU)