Soot formation of n-decane pyrolysis: A mechanistic view from ReaxFF molecular dynamics simulation

2020 ◽  
Vol 760 ◽  
pp. 137983
Author(s):  
Lu Liu ◽  
Huajie Xu ◽  
Quan Zhu ◽  
Haisheng Ren ◽  
Xiangyuan Li
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Soot Formation ◽  
Dynamics Simulation ◽  
Mechanistic View

scholarly journals Molecular dynamics simulation of soot formation during diesel combustion with oxygenated fuel addition

2020 ◽  
Vol 22 (36) ◽  
pp. 20829-20836
Author(s):  
Cheng Chen ◽  
Xi Jiang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Constant Temperature ◽  
Soot Formation ◽  
Dynamics Simulation ◽  
Diesel Combustion ◽  
Oxygenated Additives ◽  
Oxygenated Fuel

The morphology of nascent soot and the effect of oxygenated additives on sooting mitigation at a constant temperature of 3000 K.

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