| Texto completo | |
| Autor(es): |
Número total de Autores: 3
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| Afiliação do(s) autor(es): | [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
Número total de Afiliações: 2
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| Tipo de documento: | Artigo Científico |
| Fonte: | Química Nova; v. 35, n. 5, p. 978-U352, 2012. |
| Citações Web of Science: | 5 |
| Resumo | |
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) | |
| Processo FAPESP: | 07/54381-4 - Simulação computacional de sistemas químicos complexos |
| Beneficiário: | Luiz Carlos Gomide Freitas |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |