High-temperature pyrolysis of isoprenoid hydrocarbon p-menthane using ReaxFF molecular dynamics simulation

被引：0
|
作者：
Wang, Yutong [1 ]
Gong, Siyuan [1 ]
Wang, Hongyan [1 ]
Li, Ling [1 ]
Liu, Guozhu [1 ,2 ]
机构：
[1] Key Laboratory for Green Chemical Technology of Ministry of Education, School of Chemical Engineering and Technology, Tianjin University, Tianjin,300072, China
[2] Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin University, Tianjin,300072, China
来源：
Journal of Analytical and Applied Pyrolysis | 2021年 / 155卷
基金：
中国国家自然科学基金;
关键词：
Apparent activation energy - High-temperature pyrolysis - Interatomic potential - Molecular dynamics simulations - Pyrolysis process - Reactive force field - Reactive molecular dynamics - Temperature range;
D O I：
105045
中图分类号：
学科分类号：
摘要：
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