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Influence of the temperature on the proton transport in poly(styrene-co-divinylbenzene) membranes from molecular dynamics simulations

Autor
Cordova, E.; Bertran, O.; Aleman, C.
Tipus d'activitat
Article en revista
Revista
The journal of physical chemistry. Part C, nanomaterials and interfaces
Data de publicació
2014-08-07
Volum
118
Número
31
Pàgina inicial
17643
Pàgina final
17654
DOI
https://doi.org/10.1021/jp503908u Obrir en finestra nova
Projecte finançador
POLIMEROS CONDUCTORES Y SUS DERIVADOS HIBRIDOS CON APLICACIONES AVANZADAS
URL
http://pubs.acs.org/doi/pdf/10.1021/jp503908u Obrir en finestra nova
Resum
The effect of the temperature on the properties of sulfonated poly(styrene-co-divinylbenzene), P(S-DVB), cation exchange membranes has been examined in the absence and presence of an external electric field of 0.7 V.nm(-1). Results indicate that the temperature provokes local structural deformations around the sulfonate groups, which are manifested by the distortions at the C S bonds (random and preferential in the absence and presence of the electric field, respectively). These distortions affe...
Paraules clau
Exchange Membranes, Fuel-cell, Sulfonated Poly(styrene-co-divinylbenzene), Hydronium Ions, Force-field, Polymer, Water, Electrodialysis, Polythiophene, Methanol
Grup de recerca
CRnE - Centre de Recerca en Ciència i Enginyeria Multiescala de Barcelona
IMEM-BRT- Innovation in Materials and Molecular Engineering - Biomaterials for Regenerative Therapies

Participants