| DOI | Trouver le DOI : https://doi.org/10.1021/jp305464r |
|---|
| Auteur | Rechercher : Ban, Shuai1; Rechercher : Huang, Cheng1; Rechercher : Yuan, Xiao-Zi1; Rechercher : Wang, Haijiang1 |
|---|
| Affiliation | - Conseil national de recherches du Canada. Énergie, les mines et l'environnement
|
|---|
| Format | Texte, Article |
|---|
| Résumé | Molecular simulation was used to investigate the nanoporous structure of hydrated Nafion membrane and its impact on gas transport. The structural changes of Nafion induced by water uptakes were characterized in terms of the density and the pore size distribution. It was found that membrane hydration leads to a growth of separated water domains, which are gradually interconnected via newly formed water channels. The sorption and diffusion of H2 and O2 were studied at different temperatures and water contents of Nafion. Simulation results show that the water loading reduces gas solubilities as the adsorption site of gas molecules transforms from small cavities to large surfaces due to the enlargement of aqueous domains. However, such an opening of Nafion porous nanostructure effectively reduces gas diffusion barriers, and results in a 2-fold increase of O2 diffusivities. Molecular configurations of gases inside Nafion nanoporous frameworks were examined on the basis of calculated radial distribution functions. |
|---|
| Date de publication | 2012-08-23 |
|---|
| Dans | |
|---|
| Langue | anglais |
|---|
| Publications évaluées par des pairs | Oui |
|---|
| Numéro NPARC | 21268892 |
|---|
| Exporter la notice | Exporter en format RIS |
|---|
| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
|---|
| Identificateur de l’enregistrement | 4f99166f-4fca-4a1a-98e7-0d40ada8ffa5 |
|---|
| Enregistrement créé | 2013-11-22 |
|---|
| Enregistrement modifié | 2020-04-21 |
|---|
