Polycyanurates via Molecular Dynamics: In Situ Crosslinking from Di(Cyanate Ester) Resins and Model Validation through Comparison to Experiment

2021 ◽  
Author(s):  
Levi M. J. Moore ◽  
Neil D. Redeker ◽  
Andrea R. Browning ◽  
Jeffrey M. Sanders ◽  
Kamran B. Ghiassi
Keyword(s):  
Molecular Dynamics ◽  
Model Validation ◽  
Cyanate Ester ◽  
Cyanate Ester Resins ◽  
In Situ Crosslinking

Functional Poly(p-Xylylene)s via Chemical Reduction of Poly(p-Phenylene Vinylene)s

2019 ◽  
Author(s):  
Ain Uddin ◽  
Weifan Sang ◽  
Yong Gao ◽  
Kyle Plunkett
Keyword(s):  
Film Formation ◽  
Chemical Reduction ◽  
Water Soluble ◽  
Phenylene Vinylene ◽  
Polymer Modification ◽  
Polymer Backbone ◽  
Crosslinking Process ◽  
Conducting Membranes ◽  
In Situ Crosslinking

The synthesis of poly(p-xylylene)s (PPXs) with sidechains containing alkyl bromide functionality, and their post-polymer modification, is described. The PPXs were prepared by a diimide hydrogenation of poly(p-phenylene vinylene)s (PPVs) that were originally synthesized by a Gilch polymerization. The polymer backbone reduction was carried out with hydrazine hydrate in toluene at 80 °C to provide polymers with the sidechain-containing bromide functionality intact. To demonstrate post-polymer modification of the sidechains, the resulting PPX polymers were modified with trimethylamine to form tetraalkylammonium ion functionality and were evaluated as anion conducting membranes. While PPX homopolymers containing tetralkylammonium ions were completely water soluble and not able to form valuable films, PPX copolymers containing mixed tetraalkylammonium ions and hydrophobic chains were capable of film formation and alkaline stability. In addition, an in situ crosslinking process that used N,N,N',N'-tetramethyl-1,6-hexanediamine during the tetraalkylammonium formation of brominated PPX polymers was also evaluated and gave reasonable films with conductivities of ~10 mS-cm-1.

Functional Poly(p-Xylylene)s via Chemical Reduction of Poly(p-Phenylene Vinylene)s

2019 ◽  
Author(s):  
Ain Uddin ◽  
Weifan Sang ◽  
Yong Gao ◽  
Kyle Plunkett
Keyword(s):  
Film Formation ◽  
Chemical Reduction ◽  
Water Soluble ◽  
Phenylene Vinylene ◽  
Polymer Modification ◽  
Polymer Backbone ◽  
Crosslinking Process ◽  
Conducting Membranes ◽  
In Situ Crosslinking

The synthesis of poly(p-xylylene)s (PPXs) with sidechains containing alkyl bromide functionality, and their post-polymer modification, is described. The PPXs were prepared by a diimide hydrogenation of poly(p-phenylene vinylene)s (PPVs) that were originally synthesized by a Gilch polymerization. The polymer backbone reduction was carried out with hydrazine hydrate in toluene at 80 °C to provide polymers with the sidechain-containing bromide functionality intact. To demonstrate post-polymer modification of the sidechains, the resulting PPX polymers were modified with trimethylamine to form tetraalkylammonium ion functionality and were evaluated as anion conducting membranes. While PPX homopolymers containing tetralkylammonium ions were completely water soluble and not able to form valuable films, PPX copolymers containing mixed tetraalkylammonium ions and hydrophobic chains were capable of film formation and alkaline stability. In addition, an in situ crosslinking process that used N,N,N',N'-tetramethyl-1,6-hexanediamine during the tetraalkylammonium formation of brominated PPX polymers was also evaluated and gave reasonable films with conductivities of ~10 mS-cm-1.

Structure−Property relationships in nanocomposites based on cyanate ester resins and 1-heptyl pyridinium tetrafluoroborate ionic liquid

Polymer ◽  
2018 ◽  
Vol 148 ◽  
pp. 14-26 ◽  
Author(s):  
A. Vashchuk ◽  
A. Rios de Anda ◽  
O. Starostenko ◽  
O. Grigoryeva ◽  
P. Sotta ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Cyanate Ester ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Cyanate Ester Resins

Deformation twinning in response to cracking in Al: An in situ TEM and molecular dynamics study

2018 ◽  
Vol 145 ◽  
pp. 28-32 ◽  
Author(s):  
Zongde Kou ◽  
Yanqing Yang ◽  
Lixia Yang ◽  
Wei Zhang ◽  
Bin Huang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Deformation Twinning ◽  
In Situ Tem

Molecular dynamics simulation and in-situ MRI observation of organic exclusion during CO2 hydrate growth

2021 ◽  
Vol 764 ◽  
pp. 138287
Author(s):  
Lunxiang Zhang ◽  
Lingjie Sun ◽  
Yi Lu ◽  
Yangmin Kuang ◽  
Zheng Ling ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation
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