An investigation of proton conductivity of PVA, PBI and SPEEK polymer membranes using molecular dynamics simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2019.111781 ◽

2019 ◽

Vol 296 ◽

pp. 111781 ◽

Author(s):

Mahmoud Rahmati ◽

Marjan Jangali ◽

Hossein Rezaei

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Proton Conductivity ◽

Polymer Membranes ◽

Dynamics Simulation

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Molecular dynamics simulation of proton conductivity enhancement in polymer membranes by Y-doped BaCeO3 nanoparticles

Computational Materials Science ◽

10.1016/j.commatsci.2019.109139 ◽

2019 ◽

Vol 169 ◽

pp. 109139

Author(s):

Mahmoud Rahmati ◽

Marjan Jangali

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Proton Conductivity ◽

Polymer Membranes ◽

Dynamics Simulation ◽

Conductivity Enhancement

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Molecular Dynamics Simulation of Interaction between Lysozyme and Non-fouling Polymer Membranes

Acta Polymerica Sinica ◽

10.3724/sp.j.1105.2014.13164 ◽

2014 ◽

Vol 014 (1) ◽

pp. 99-106 ◽

Author(s):

Zhang Heng ◽

Hu Li-mei ◽

Lin Cun-guo ◽

Wang Li ◽

Yuan Shi-ling

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer Membranes ◽

Dynamics Simulation ◽

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Proton conductivity of β-PCMOF2 in different temperatures and external electric fields: an insight from molecular dynamics simulation

Materials Today Communications ◽

10.1016/j.mtcomm.2019.100741 ◽

2020 ◽

Vol 22 ◽

pp. 100741

Author(s):

N. Farzi ◽

F. Rahimi ◽

H. Sabzyan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Proton Conductivity ◽

Electric Fields ◽

Dynamics Simulation ◽

External Electric Fields ◽

Different Temperatures

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Analysis of the Interaction between a Protein and Polymer Membranes Using Steered Molecular Dynamics Simulation to Interpret the Fouling Behavior

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.20200173 ◽

2020 ◽

Vol 93 (12) ◽

pp. 1443-1448

Author(s):

Shunsuke Mieda

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer Membranes ◽

Steered Molecular Dynamics ◽

Dynamics Simulation ◽

Steered Molecular Dynamics Simulation

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Proton mobility and thermal conductivities of fuel cell polymer membranes: Molecular dynamics simulation

Computational Materials Science ◽

10.1016/j.commatsci.2017.02.022 ◽

2017 ◽

Vol 132 ◽

pp. 55-61 ◽

Author(s):

Chenyang Zheng ◽

Fan Geng ◽

Zhonghao Rao

Keyword(s):

Molecular Dynamics ◽

Fuel Cell ◽

Molecular Dynamics Simulation ◽

Polymer Membranes ◽

Dynamics Simulation ◽

Proton Mobility ◽

Thermal Conductivities

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Predicting the proton conductivity of perfluorosulfonic acid membrane via combining statistical thermodynamics and molecular dynamics simulation

Journal of Polymer Science Part B Polymer Physics ◽

10.1002/polb.22328 ◽

2011 ◽

Vol 49 (20) ◽

pp. 1455-1463 ◽

Author(s):

Young Gyun Kim ◽

Young Chan Bae

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Proton Conductivity ◽

Statistical Thermodynamics ◽

Dynamics Simulation ◽

Perfluorosulfonic Acid

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Nanoscale molecular cavity in crystalline polymer membranes studied by molecular dynamics simulation

Polymer ◽

10.1016/s0032-3861(03)00214-3 ◽

2003 ◽

Vol 44 (11) ◽

pp. 3279-3289 ◽

Author(s):

Yoshinori Tamai ◽

Mitsuhiro Fukuda

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer Membranes ◽

Crystalline Polymer ◽

Dynamics Simulation

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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 ◽

Author(s):

An-Tsung Kuo ◽

Kotono Takeuchi ◽

Atsushi Tanaka ◽

Shingo Urata ◽

Susumu Okazaki ◽

...

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Chain Length ◽

Polymer Membranes ◽

Dynamics Simulation ◽

Perfluorosulfonic Acid ◽

Side Chain Length

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Proton conduction of fuel cell polymer membranes: Molecular dynamics simulation

Computational Materials Science ◽

10.1016/j.commatsci.2017.09.058 ◽

2018 ◽

Vol 142 ◽

pp. 122-128 ◽

Author(s):

Zhonghao Rao ◽

Chenyang Zheng ◽

Fan Geng

Keyword(s):

Molecular Dynamics ◽

Fuel Cell ◽

Molecular Dynamics Simulation ◽

Polymer Membranes ◽

Proton Conduction ◽

Dynamics Simulation

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Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

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