Molecular Dynamics Simulations of Water Sorption in a Perfluorosulfonic Acid Membrane

2013 ◽  
Vol 117 (41) ◽  
pp. 12649-12660 ◽  
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

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

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

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

2008 ◽  
Vol 112 (42) ◽  
pp. 13273-13284 ◽  
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

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

2013 ◽  
Vol 117 (16) ◽  
pp. 8079-8091 ◽  
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

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

2019 ◽  
Vol 21 ◽  
pp. 100625 ◽  
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

Molecular Dynamics Simulations of Electroosmosis in Perfluorosulfonic Acid Polymer

2008 ◽  
Vol 112 (18) ◽  
pp. 5602-5610 ◽  
Author(s):  
Liuming Yan ◽  
Xiaobo Ji ◽  
Wencong Lu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Perfluorosulfonic Acid ◽  
Dynamics Simulations

Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

2000 ◽  
Vol 98 (11) ◽  
pp. 701-707
Author(s):  
Alessandro Sergi, Mauro Ferrario, Francesco Bu
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Ab Initio Molecular Dynamics ◽  
Dynamics Simulations
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