Comparison of the Hydration and Diffusion of Protons in Perfluorosulfonic Acid Membranes with Molecular Dynamics Simulations

Shengting Cui; Junwu Liu; Myvizhi Esai Selvan; Stephen J. Paddison; David J. Keffer; Brian J. Edwards

doi:10.1021/jp8039803

Comparison of the Hydration and Diffusion of Protons in Perfluorosulfonic Acid Membranes with Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp8039803 ◽

2008 ◽

Vol 112 (42) ◽

pp. 13273-13284 ◽

Cited By ~ 90

Author(s):

Shengting Cui ◽

Junwu Liu ◽

Myvizhi Esai Selvan ◽

Stephen J. Paddison ◽

David J. Keffer ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Perfluorosulfonic Acid ◽

Perfluorosulfonic Acid Membranes ◽

Dynamics Simulations ◽

And Diffusion

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Molecular Dynamics Simulations of Proton Transport in 3M and Nafion Perfluorosulfonic Acid Membranes

The Journal of Physical Chemistry C ◽

10.1021/jp400693g ◽

2013 ◽

Vol 117 (16) ◽

pp. 8079-8091 ◽

Cited By ~ 62

Author(s):

Ying-Lung Steve Tse ◽

Andrew M. Herring ◽

Kwiseon Kim ◽

Gregory A. Voth

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Proton Transport ◽

Perfluorosulfonic Acid ◽

Perfluorosulfonic Acid Membranes ◽

Dynamics Simulations

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Investigating the influence of the side-chain pendants of perfluorosulfonic acid membranes in a PEMFC by molecular dynamics simulations

Materials Today Communications ◽

10.1016/j.mtcomm.2019.100625 ◽

2019 ◽

Vol 21 ◽

pp. 100625 ◽

Cited By ~ 6

Author(s):

Sung Hyun Kwon ◽

Haisu Kang ◽

Ji Hye Lee ◽

Sunbo Shim ◽

Jinhee Lee ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Side Chain ◽

Perfluorosulfonic Acid ◽

Perfluorosulfonic Acid Membranes ◽

Dynamics Simulations

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Molecular dynamics simulations of the adsorption and diffusion behavior of pure and mixed alkanes in silicalite

Microporous and Mesoporous Materials ◽

10.1016/j.micromeso.2005.06.017 ◽

2005 ◽

Vol 85 (1-2) ◽

pp. 143-156 ◽

Cited By ~ 14

Author(s):

I. Hussain ◽

J.O. Titiloye

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Diffusion Behavior ◽

Dynamics Simulations ◽

And Diffusion

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Molecular dynamics simulations on local structure and diffusion in liquid TixAl1−x alloys

Physica B Condensed Matter ◽

10.1016/j.physb.2011.07.030 ◽

2011 ◽

Vol 406 (20) ◽

pp. 3938-3941 ◽

Cited By ~ 4

Author(s):

J.H. Xia ◽

C.S. Liu ◽

Z.F. Cheng ◽

D.P. Shi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Local Structure ◽

Dynamics Simulations ◽

And Diffusion

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Molecular Dynamics Simulations of Proton Diffusion in the Short-Side-Chain Perfluorosulfonic Acid Ionomer

ECS Transactions ◽

10.1149/1.2780992 ◽

2019 ◽

Vol 11 (1) ◽

pp. 789-795

Author(s):

Iordan I. Hristov ◽

Stephen J. Paddison ◽

Reginald Paul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Side Chain ◽

Perfluorosulfonic Acid ◽

Short Side ◽

Proton Diffusion ◽

Dynamics Simulations

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Adsorption and diffusion of light alkanes on nanoporous faujasite catalysts investigated by molecular dynamics simulations

Microporous and Mesoporous Materials ◽

10.1016/j.micromeso.2006.10.030 ◽

2007 ◽

Vol 100 (1-3) ◽

pp. 160-166 ◽

Cited By ~ 10

Author(s):

Pinyo Wongthong ◽

Ratana Rungsirisakun ◽

Michael Probst ◽

Jumras Limtrakul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Light Alkanes ◽

Dynamics Simulations ◽

And Diffusion

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On the Mechanism of Proton Transport in Model Perfluorosulfonic Acid Systems: Ab Initio Molecular Dynamics Simulations

ECS Meeting Abstracts ◽

10.1149/ma2009-02/10/1007 ◽

2009 ◽

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Proton Transport ◽

Ab Initio Molecular Dynamics ◽

Perfluorosulfonic Acid ◽

Dynamics Simulations

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Fluid-solid phase transition of n-alkane mixtures: Coarse-grained molecular dynamics simulations and diffusion-ordered spectroscopy nuclear magnetic resonance

Scientific Reports ◽

10.1038/s41598-018-37799-7 ◽

2019 ◽

Vol 9 (1) ◽

Cited By ~ 11

Author(s):

S. Shahruddin ◽

G. Jiménez-Serratos ◽

G. J. P. Britovsek ◽

O. K. Matar ◽

E. A. Müller

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Molecular Dynamics Simulations ◽

Solid Phase ◽

Coarse Grained ◽

Solid Phase Transition ◽

Dynamics Simulations ◽

And Diffusion

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Molecular simulations of analyte partitioning and diffusion in liquid crystal sensors

Molecular Systems Design & Engineering ◽

10.1039/c9me00126c ◽

2020 ◽

Vol 5 (1) ◽

pp. 304-316 ◽

Cited By ~ 1

Author(s):

Jonathan K. Sheavly ◽

Jake I. Gold ◽

Manos Mavrikakis ◽

Reid C. Van Lehn

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Molecular Simulations ◽

Activation Time ◽

Dynamics Simulations ◽

And Diffusion ◽

Analyte Transport

Molecular dynamics simulations predict the effect of analyte transport on the activation time of chemoresponsive liquid crystal sensors to improve sensor selectivity.

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Molecular Dynamics Simulations of Water Sorption in a Perfluorosulfonic Acid Membrane

The Journal of Physical Chemistry B ◽

10.1021/jp405440r ◽

2013 ◽

Vol 117 (41) ◽

pp. 12649-12660 ◽

Cited By ~ 25

Author(s):

Kevin B. Daly ◽

Jay B. Benziger ◽

Pablo G. Debenedetti ◽

Athanassios Z. Panagiotopoulos

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Water Sorption ◽

Perfluorosulfonic Acid ◽

Dynamics Simulations

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