Silica-alumina liquids: in-situ study by high-temperature aluminum-27 NMR spectroscopy and molecular dynamics simulation

1992 ◽  
Vol 96 (21) ◽  
pp. 8220-8224 ◽  
Author(s):  
Brent T. Poe ◽  
Paul F. McMillan ◽  
Bertrand Cote ◽  
Dominique Massiot ◽  
Jean Pierre Coutures
Keyword(s):  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Nmr Spectroscopy ◽  
Dynamics Simulation ◽  
In Situ Study ◽  
Silica Alumina

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.

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

scholarly journals Molecular dynamics simulation of the evaporation of the surface wall of multi-wall carbon nanotubes at high temperature

2010 ◽  
Vol 59 (4) ◽  
pp. 2672
Author(s):  
Wang Wei ◽  
Zhang Kai-Wang ◽  
Meng Li-Jun ◽  
Li Zhong-Qiu ◽  
Zuo Xue-Yun ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Multi Wall Carbon Nanotubes
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