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

California Institute of Technology

Research output: Contribution to journal › Conference article › peer-review

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.

Original language	English
Pages (from-to)	805-808
Number of pages	4
Journal	Solid State Ionics
Volume	175
Issue number	1-4
DOIs	https://doi.org/10.1016/j.ssi.2004.08.039
Publication status	Published - 30 Nov 2004
Externally published	Yes
Event	Fourteenth International Conference on Solid State Ionics - Monterey, CA., United States Duration: 22 Jun 2003 → 27 Jun 2003

Keywords

Hydronium diffusion
Monomeric sequence
Nafion
Nanosegregation
Water diffusion

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10.1016/j.ssi.2004.08.039

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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",

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

UR - https://www.scopus.com/pages/publications/10044289573

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

Abstract

Keywords

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