Effect of the Side-Chain Length in Perfluorinated Sulfonic and Phosphoric Acid-Based Membranes on Nanophase Segregation and Transport: A Molecular Dynamics Simulation Approach

Phosphoric Acid ◽

Chain Length ◽

Dynamics Simulation ◽

Side Chain ◽

Simulation Approach ◽

Molecular dynamics simulation of radiation grafted FEP films as proton exchange membranes: Effects of the side chain length

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2017.09.043 ◽

2017 ◽

Vol 42 (50) ◽

pp. 29977-29987 ◽

Cited By ~ 4

Author(s):

Xue Li ◽

Yang Zhao ◽

Weiwei Li ◽

Shubo Wang ◽

Xuegang Liu ◽

...

Keyword(s):

Molecular Dynamics ◽

Chain Length ◽

Proton Exchange Membranes ◽

Proton Exchange ◽

Dynamics Simulation ◽

Side Chain ◽

Exploring the effect of pendent side chain length on the structural and mechanical properties of hydrated perfluorosulfonic acid polymer membranes by molecular dynamics simulation

Polymer ◽

10.1016/j.polymer.2018.05.033 ◽

2018 ◽

Vol 146 ◽

pp. 53-62 ◽

Cited By ~ 15

Author(s):

An-Tsung Kuo ◽

Kotono Takeuchi ◽

Atsushi Tanaka ◽

Shingo Urata ◽

Susumu Okazaki ◽

...

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Chain Length ◽

Polymer Membranes ◽

Dynamics Simulation ◽

Side Chain ◽

Perfluorosulfonic Acid ◽

Effects of Side Chain Length on the Structure, Oxygen Transport and Thermal Conductivity for Perfluorosulfonic Acid Membrane: Molecular Dynamics Simulation

Journal of The Electrochemical Society ◽

10.1149/2.0791908jes ◽

2019 ◽

Vol 166 (8) ◽

pp. F511-F518 ◽

Cited By ~ 4

Author(s):

Linhao Fan ◽

Fuqiang Xi ◽

Xiaoyang Wang ◽

Jin Xuan ◽

Kui Jiao

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Chain Length ◽

Oxygen Transport ◽

Dynamics Simulation ◽

Side Chain ◽

Perfluorosulfonic Acid ◽

Distribution characteristics of phosphoric acid and PTFE binder on Pt/C surfaces in high-temperature polymer electrolyte membrane fuel cells: Molecular dynamics simulation approach

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2021.01.218 ◽

2021 ◽

Vol 46 (33) ◽

pp. 17295-17305

Author(s):

Sung Hyun Kwon ◽

So Young Lee ◽

Hyoung-Juhn Kim ◽

Seung Soon Jang ◽

Seung Geol Lee

Keyword(s):

Molecular Dynamics ◽

High Temperature ◽

Phosphoric Acid ◽

Polymer Electrolyte ◽

Polymer Electrolyte Membrane ◽

Dynamics Simulation ◽

Distribution Characteristics ◽

Simulation Approach ◽

Electrolyte Membrane

Rational Design and Engineering of a Mutant Variant of Urate Oxidase as a Therapeutic Enzyme: A Molecular Dynamics Simulation Approach

Current Computer - Aided Drug Design ◽

10.2174/1573409912666160906093025 ◽

2017 ◽

Vol 13 (1) ◽

pp. 30-38

Author(s):

Sajjad Ahrari ◽

Fatemeh Dabbagh ◽

Sobhan Ahrari ◽

Younes Ghasemi ◽

Navid Mogharrab ◽

...

Keyword(s):

Molecular Dynamics ◽

Rational Design ◽

Dynamics Simulation ◽

Urate Oxidase ◽

Simulation Approach ◽

Mutant Variant

Distribution and Transport of CO2 in Hydrated Hyperbranched Poly(ethylenimine) Membranes: A Molecular Dynamics Simulation Approach

ACS Omega ◽

10.1021/acsomega.0c05923 ◽

2021 ◽

Vol 6 (4) ◽

pp. 3390-3398

Author(s):

Kyung Il Kim ◽

Robin Lawler ◽

Hyun June Moon ◽

Pavithra Narayanan ◽

Miles A. Sakwa-Novak ◽

...

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

Simulation Approach ◽

Hyperbranched Poly

A molecular dynamics simulation of boundary lubrication: The effect of n-alkanes chain length and normal load

Wear ◽

10.1016/j.wear.2013.01.052 ◽

2013 ◽

Vol 301 (1-2) ◽

pp. 62-69 ◽

Cited By ~ 30

Author(s):

Xuan Zheng ◽

Hongtao Zhu ◽

Buyung Kosasih ◽

A. Kiet Tieu

Keyword(s):

Molecular Dynamics ◽

Chain Length ◽

Boundary Lubrication ◽

Normal Load ◽

Dynamics Simulation

Interaction of water with α,α-trehalose in solution: molecular dynamics simulation approach

Journal of the Chemical Society Faraday Transactions ◽

10.1039/ft9949002731 ◽

1994 ◽

Vol 90 (18) ◽

pp. 2731-2735 ◽

Cited By ~ 90

Author(s):

Maria C. Donnamaria ◽

Eduardo I. Howard ◽

J. Raul Grigera

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

Simulation Approach

Characterization of the molten globule state of retinol-binding protein using a molecular dynamics simulation approach

FEBS Journal ◽

10.1111/j.1742-4658.2005.04898.x ◽

2005 ◽

Vol 272 (18) ◽

pp. 4826-4838 ◽

Cited By ~ 8

Author(s):

Emanuele Paci ◽

Lesley H. Greene ◽

Rachel M. Jones ◽

Lorna J. Smith

Keyword(s):

Molecular Dynamics ◽

Binding Protein ◽

Molten Globule ◽

Retinol Binding Protein ◽

Dynamics Simulation ◽

Simulation Approach ◽

Molten Globule State

Effect of monomeric sequence on transport properties of d-glucose and ascorbic acid in poly(VP-co-HEMA) hydrogels with various water contents: molecular dynamics simulation approach

Theoretical Chemistry Accounts ◽

10.1007/s00214-012-1206-y ◽

2012 ◽

Vol 131 (4) ◽

Cited By ~ 9

Author(s):

Seung Geol Lee ◽

Wonsang Koh ◽

Giuseppe F. Brunello ◽

Ji Il Choi ◽

David G. Bucknall ◽

...

Keyword(s):

Molecular Dynamics ◽

Ascorbic Acid ◽

Transport Properties ◽

Dynamics Simulation ◽

Simulation Approach ◽

Water Contents