Study on the Structure and Properties of High-Calcium Coal Ash in the High-Temperature Zone of a Blast Furnace: A Molecular Dynamics Simulation Investigation

JOM ◽  
2020 ◽  
Vol 72 (7) ◽  
pp. 2713-2720
Author(s):  
Chunhe Jiang ◽  
Zixin Xiong ◽  
Yushan Bu ◽  
Yunlong Yu ◽  
Haochen Yu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Blast Furnace ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Coal Ash ◽  
Dynamics Simulation ◽  
Structure And Properties ◽  
Temperature Zone ◽  
High Temperature Zone ◽  
High Calcium

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.

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