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Revealing chemical reactions of coal pyrolysis with GPU-enabled ReaxFF molecular dynamics and cheminformatics analysis 期刊论文
MOLECULAR SIMULATION, 2015, 卷号: 41, 期号: 1-3, 页码: 13-27
Authors:  Li, Xiaoxia;  Mo, Zheng;  Liu, Jian;  Guo, Li
Adobe PDF(1141Kb)  |  Favorite  |  View/Download:124/0  |  Submit date:2015/04/01
Reaction Mechanism  Reaxff Molecular Dynamics  Gmd-reax  Coal Pyrolysis Simulation  Varmd  
Study of high density polyethylene (HDPE) pyrolysis with reactive molecular dynamics 期刊论文
POLYMER DEGRADATION AND STABILITY, 2014, 卷号: 104, 期号: 1, 页码: 62-70
Authors:  Liu, Xiaolong;  Li, Xiaoxia;  Liu, Jian;  Wang, Ze;  Kong, Bin;  Gong, Xiaomin;  Yang, Xiaozhen;  Lin, Weigang;  Guo, Li
Adobe PDF(2022Kb)  |  Favorite  |  View/Download:155/0  |  Submit date:2014/08/28
Reaxff Md  Hdpe Pyrolysis  Chemical Reaction Mechanism  Reactive Molecular Dynamics  Varmd