Molecular Dynamics Simulation Study of a Polysulfone-Based Anion Exchange Membrane in Comparison with the Proton Exchange Membrane

Kyung Won Han; Kwan Ho Ko; Khaldoon Abu-Hakmeh; Chulsung Bae; Young Jun Sohn; Seung Soon Jang

doi:10.1021/jp412473j

Molecular Dynamics Simulation Study of a Polysulfone-Based Anion Exchange Membrane in Comparison with the Proton Exchange Membrane

The Journal of Physical Chemistry C ◽

10.1021/jp412473j ◽

2014 ◽

Vol 118 (24) ◽

pp. 12577-12587 ◽

Cited By ~ 38

Author(s):

Kyung Won Han ◽

Kwan Ho Ko ◽

Khaldoon Abu-Hakmeh ◽

Chulsung Bae ◽

Young Jun Sohn ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Anion Exchange ◽

Simulation Study ◽

Proton Exchange Membrane ◽

Anion Exchange Membrane ◽

Proton Exchange ◽

Dynamics Simulation ◽

Exchange Membrane

Download Full-text

Molecular dynamics simulation study of a polynorbornene-based polymer: A prediction of proton exchange membrane design and performance

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2016.05.254 ◽

2016 ◽

Vol 41 (36) ◽

pp. 16254-16263 ◽

Cited By ~ 16

Author(s):

Xue Li ◽

Yang Zhao ◽

Shubo Wang ◽

Xiaofeng Xie

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Proton Exchange Membrane ◽

Proton Exchange ◽

Dynamics Simulation ◽

Membrane Design ◽

And Performance ◽

Exchange Membrane

Download Full-text

Molecular dynamics simulation of alkaline electrolyte diffusion in anion exchange membrane

Science China Technological Sciences ◽

10.1007/s11431-020-1615-0 ◽

2020 ◽

Vol 63 (11) ◽

pp. 2241-2255

Author(s):

BingYe Song ◽

Dong Li ◽

YaLing He ◽

Dong Huang ◽

ZiXiang Tong

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Anion Exchange ◽

Anion Exchange Membrane ◽

Dynamics Simulation ◽

Alkaline Electrolyte ◽

Exchange Membrane

Download Full-text

Constructing ionic channels in anion exchange membrane via a Zn2+ soft template: Experiment and molecular dynamics simulation

Journal of Membrane Science ◽

10.1016/j.memsci.2021.119293 ◽

2021 ◽

Vol 629 ◽

pp. 119293

Author(s):

Wanting Chen ◽

Tiantian Li ◽

Xiaoming Yan ◽

Xuemei Wu ◽

Yang Zhang ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Anion Exchange ◽

Ionic Channels ◽

Anion Exchange Membrane ◽

Dynamics Simulation ◽

Soft Template ◽

Exchange Membrane

Download Full-text

Molecular Dynamics Simulation on Quaternized Ammonium Poly (ether ether ketone) for Anion-Exchange Membrane Fuel Cells

ECS Meeting Abstracts ◽

10.1149/ma2019-02/36/1681 ◽

2019 ◽

Keyword(s):

Molecular Dynamics ◽

Fuel Cells ◽

Molecular Dynamics Simulation ◽

Anion Exchange ◽

Anion Exchange Membrane ◽

Dynamics Simulation ◽

Ether Ether Ketone ◽

Poly Ether Ether Ketone ◽

Ether Ketone ◽

Exchange Membrane

Download Full-text

Molecular Dynamics Simulation of Modified Nafion 117 Based Anion Exchange Membrane Fuel Cell: Transport and Nanophase-Segregated Structure Properties

ECS Meeting Abstracts ◽

10.1149/ma2018-01/44/2559 ◽

2018 ◽

Keyword(s):

Molecular Dynamics ◽

Fuel Cell ◽

Molecular Dynamics Simulation ◽

Anion Exchange ◽

Anion Exchange Membrane ◽

Dynamics Simulation ◽

Cell Transport ◽

Exchange Membrane ◽

Segregated Structure ◽

Structure Properties

Download Full-text

The Temperature Effect on the Diffusion Processes of Water and Proton in the Proton Exchange Membrane Using Molecular Dynamics Simulation

Numerical Heat Transfer Part A Applications ◽

10.1080/10407782.2013.784677 ◽

2013 ◽

Vol 65 (3) ◽

pp. 216-228 ◽

Cited By ~ 27

Author(s):

Lei Chen ◽

Ya-Ling He ◽

Wen-Quan Tao

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Temperature Effect ◽

Proton Exchange Membrane ◽

Diffusion Processes ◽

Proton Exchange ◽

Dynamics Simulation ◽

Exchange Membrane

Download Full-text

Atomistic and Coarse-Grained Molecular Dynamics Simulation of a Cross-Linked Sulfonated Poly(1,3-cyclohexadiene)-Based Proton Exchange Membrane

Macromolecules ◽

10.1021/ma300383z ◽

2012 ◽

Vol 45 (16) ◽

pp. 6669-6685 ◽

Cited By ~ 19

Author(s):

Qifei Wang ◽

Nethika S. Suraweera ◽

David J. Keffer ◽

Suxiang Deng ◽

Jimmy Mays

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Proton Exchange Membrane ◽

Proton Exchange ◽

Dynamics Simulation ◽

Coarse Grained ◽

Exchange Membrane ◽

Sulfonated Poly ◽

Coarse Grained Molecular Dynamics

Download Full-text

Atomistic and Coarse-Grained Molecular Dynamics Simulation of a Cross-Linked Sulfonated Poly (1, 3-Cyclohexadiene)-Based Proton Exchange Membrane

ECS Meeting Abstracts ◽

10.1149/ma2012-01/27/1040 ◽

2012 ◽

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Proton Exchange Membrane ◽

Proton Exchange ◽

Dynamics Simulation ◽

Coarse Grained ◽

Exchange Membrane ◽

Sulfonated Poly ◽

Coarse Grained Molecular Dynamics

Download Full-text

Predicting the solvation structure and vehicular diffusion of hydroxide ion in an anion exchange membrane using nonreactive molecular dynamics simulation

Chemical Physics Letters ◽

10.1016/j.cplett.2020.137802 ◽

2020 ◽

Vol 755 ◽

pp. 137802

Author(s):

Vikas Dubey ◽

Archita Maiti ◽

Snehasis Daschakraborty

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Anion Exchange ◽

Anion Exchange Membrane ◽

Dynamics Simulation ◽

Hydroxide Ion ◽

Solvation Structure ◽

Exchange Membrane

Download Full-text

ReaxFF Reactive Molecular Dynamics Simulation of Functionalized Poly(phenylene oxide) Anion Exchange Membrane

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b07271 ◽

2015 ◽

Vol 119 (49) ◽

pp. 27727-27736 ◽

Cited By ~ 36

Author(s):

Weiwei Zhang ◽

Adri C. T. van Duin

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Anion Exchange ◽

Anion Exchange Membrane ◽

Dynamics Simulation ◽

Reactive Molecular Dynamics ◽

Phenylene Oxide ◽

Exchange Membrane

Download Full-text