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Dynamics of water nanodroplets and aqueous protons in non-ionic reverse micelles

Autor
Rodriguez, J.; Laria, D.; Guardia, E.; Marti, J.
Tipus d'activitat
Article en revista
Revista
Physical chemistry chemical physics
Data de publicació
2009-03
Volum
11
Número
10
Pàgina inicial
1484
Pàgina final
1490
DOI
https://doi.org/10.1039/B816827J Obrir en finestra nova
URL
http://pubs.rsc.org/en/Content/ArticleLanding/2009/CP/b816827j#!divAbstract Obrir en finestra nova
Resum
We present a study of the microscopic dynamics of water trapped in reverse non-ionic micelles by means of a series of molecular dynamics simulations. The analysis of the effects of micellar confinement on spectroscopical properties of an excess proton has also been considered. Our micelles were microemulsions made with the neutral surfactant diethylene glycol monodecyl ether [CH3(CH2)11(OC2H4)2OH]. Simulation experiments including the proton species were performed using a multistate empirical va...
Grup de recerca
CEBIM - Centre de Biotecnologia Molecular
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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