Molecular dynamics simulation of the sodium octanoate micelle in aqueous solution: comparison of force field parameters and molecular topology effects on the micellar structure
We have performed a series of 10 ns Molecular Dynamics simulations of the sodium octanoate micelle inaqueous solution in the constant NpT ensemble, at p = 1 bar and T = 300 K. Two molecular topologies werestudied, one with all internal degrees of freedom and the other constraining bond stretching an...
Gardado en:
| Publicado en: | Brazilian Journal of Physics |
|---|---|
| Principais autores: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Sociedade Brasileira de Física
2004
|
| Assuntos: | |
| Acceso en liña: | https://www.redalyc.org/articulo.oa?id=46434109 |
| Tags: |
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!
|