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

2015 ◽  
Vol 119 (49) ◽  
pp. 27727-27736 ◽  
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

scholarly journals Reactive molecular dynamics simulation of the high-temperature pyrolysis of 2,2′,2′′,4,4′,4′′,6,6′,6′′-nonanitro-1,1′:3′,1′′-terphenyl (NONA)

RSC Advances ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 5507-5515
Author(s):  
Liang Song ◽  
Feng-Qi Zhao ◽  
Si-Yu Xu ◽  
Xue-Hai Ju
Keyword(s):  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulation ◽  
Reactive Molecular Dynamics ◽  
Ring Compounds ◽  
Fused Ring ◽  
Dynamics Simulations

The bimolecular and fused ring compounds are found in the high-temperature pyrolysis of NONA using ReaxFF molecular dynamics simulations.

Side-chain manipulation of poly (phenylene oxide) based anion exchange membrane: Alkoxyl extender integrated with flexible spacer

2021 ◽  
Vol 624 ◽  
pp. 119088
Author(s):  
Lv Li ◽  
Jiaao Wang ◽  
Manzoor Hussain ◽  
Lingling Ma ◽  
Naeem Akhtar Qaisrani ◽  
...  
Keyword(s):  
Anion Exchange ◽  
Anion Exchange Membrane ◽  
Side Chain ◽  
Flexible Spacer ◽  
Phenylene Oxide ◽  
Exchange Membrane
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