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Molecular Modeling of Structure and Dynamics of Nafion Protonation States

[Image: see text] We present the results of the atomistic molecular dynamics modeling of different protonation states of Nafion at varying hydration levels. Previous experiments have shown that the degree of deprotonation (DDP) of the sulfonic acid groups in a Nafion membrane varies significantly up...

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Detalles Bibliográficos
Autores principales: Sengupta, Soumyadipta, Lyulin, Alexey V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6691399/
https://www.ncbi.nlm.nih.gov/pubmed/31306017
http://dx.doi.org/10.1021/acs.jpcb.9b04534