Effect of monomeric sequence on nanostructure and water dynamics in Nafion 117

Seung Soon Jang; Valeria Molinero; Tahir Çagin; William A. Goddard

doi:10.1016/j.ssi.2004.08.039

Effect of monomeric sequence on nanostructure and water dynamics in Nafion 117

Seung Soon Jang
, Valeria Molinero
, Tahir Çagin
, William A. Goddard

Materials and Process Simulation Center
California Institute of Technology

Résultats de recherche: Contribution à un journal › Article de conférence › Revue par des pairs

49 Citations (Scopus)

Résumé

We studied the effect of polar/nonpolar sequences on the structure and water transport of Nafion 117 with 20 wt.% water by molecular dynamics (MD) simulations. Although the systems show clear hydrophilic/hydrophobic segregation in all conditions studied, we observe that increased blockiness leads to better phase segregation, with the anionic moieties unevenly distributed in the interface leaving big hydrophobic patches of polymer/water contact. The vehicular diffusion of water and hydronium was not affected by the blockiness.

langue originale	Anglais
Pages (de - à)	805-808
Nombre de pages	4
journal	Solid State Ionics
Volume	175
Numéro de publication	1-4
Les DOIs	https://doi.org/10.1016/j.ssi.2004.08.039
état	Publié - 30 nov. 2004
Modification externe	Oui
Evénement	Fourteenth International Conference on Solid State Ionics - Monterey, CA., États-Unis Durée: 22 juin 2003 → 27 juin 2003

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10.1016/j.ssi.2004.08.039

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@article{3e332f88111d4f8d9d34e51cc03dc1e2,

title = "Effect of monomeric sequence on nanostructure and water dynamics in Nafion 117",

abstract = "We studied the effect of polar/nonpolar sequences on the structure and water transport of Nafion 117 with 20 wt.\% water by molecular dynamics (MD) simulations. Although the systems show clear hydrophilic/hydrophobic segregation in all conditions studied, we observe that increased blockiness leads to better phase segregation, with the anionic moieties unevenly distributed in the interface leaving big hydrophobic patches of polymer/water contact. The vehicular diffusion of water and hydronium was not affected by the blockiness.",

keywords = "Hydronium diffusion, Monomeric sequence, Nafion, Nanosegregation, Water diffusion",

author = "Jang, \{Seung Soon\} and Valeria Molinero and Tahir {\c C}agin and Goddard, \{William A.\}",

year = "2004",

month = nov,

day = "30",

doi = "10.1016/j.ssi.2004.08.039",

language = "English",

volume = "175",

pages = "805--808",

journal = "Solid State Ionics",

issn = "0167-2738",

publisher = "Elsevier B.V.",

number = "1-4",

note = "Fourteenth International Conference on Solid State Ionics ; Conference date: 22-06-2003 Through 27-06-2003",

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TY - JOUR

T1 - Effect of monomeric sequence on nanostructure and water dynamics in Nafion 117

AU - Jang, Seung Soon

AU - Molinero, Valeria

AU - Çagin, Tahir

AU - Goddard, William A.

PY - 2004/11/30

Y1 - 2004/11/30

N2 - We studied the effect of polar/nonpolar sequences on the structure and water transport of Nafion 117 with 20 wt.% water by molecular dynamics (MD) simulations. Although the systems show clear hydrophilic/hydrophobic segregation in all conditions studied, we observe that increased blockiness leads to better phase segregation, with the anionic moieties unevenly distributed in the interface leaving big hydrophobic patches of polymer/water contact. The vehicular diffusion of water and hydronium was not affected by the blockiness.

AB - We studied the effect of polar/nonpolar sequences on the structure and water transport of Nafion 117 with 20 wt.% water by molecular dynamics (MD) simulations. Although the systems show clear hydrophilic/hydrophobic segregation in all conditions studied, we observe that increased blockiness leads to better phase segregation, with the anionic moieties unevenly distributed in the interface leaving big hydrophobic patches of polymer/water contact. The vehicular diffusion of water and hydronium was not affected by the blockiness.

KW - Hydronium diffusion

KW - Monomeric sequence

KW - Nafion

KW - Nanosegregation

KW - Water diffusion

U2 - 10.1016/j.ssi.2004.08.039

DO - 10.1016/j.ssi.2004.08.039

M3 - Conference article

AN - SCOPUS:10044289573

SN - 0167-2738

VL - 175

SP - 805

EP - 808

JO - Solid State Ionics

JF - Solid State Ionics

IS - 1-4

T2 - Fourteenth International Conference on Solid State Ionics

Y2 - 22 June 2003 through 27 June 2003

ER -

Effect of monomeric sequence on nanostructure and water dynamics in Nafion 117

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