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	Dynamic trends for char/soot formation during secondary reactions of coal pyrolysis by large-scale reactive molecular dynamics 期刊论文 OAI收割 JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2021, 卷号: 155, 页码: 11 作者: Zheng, Mo; Li, Xiaoxia; Guo, Li \| 收藏 \| 浏览/下载：43/0 \| 提交时间：2021/08/31 Char soot precursors Secondary reactions Large-scale ReaxFF MD simulation Tar radicals Competitive reactions
	Capturing the dynamic profiles of products in Hailaer brown coal pyrolysis with reactive molecular simulations and experiments 期刊论文 OAI收割 FUEL, 2020, 卷号: 268, 页码: 12 作者: Zheng, Mo; Pan, Yang; Wang, Ze; Li, Xiaoxia; Guo, Li \| 收藏 \| 浏览/下载：46/0 \| 提交时间：2020/05/21 Coal pyrolysis SVUV-PIMS ReaxFF MD simulation Py-GC/MS Reaction pathways
	Dynamic profiles of tar products during Naomaohu coal pyrolysis revealed by large-scale reactive molecular dynamic simulation 期刊论文 OAI收割 FUEL, 2019, 卷号: 253, 页码: 910-920 作者: Zheng, Mo; Li, Xiaoxia; Wang, Meijun; Guo, Li \| 收藏 \| 浏览/下载：72/0 \| 提交时间：2019/09/03 Low-rank coal pyrolysis Tar products ReaxFF MD simulation Dynamic profile Detailed structure
	Initial Reaction Mechanism of RP-3 High Temperature Oxidation Simulated with ReaxFF MD 期刊论文 OAI收割 ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 6, 页码: 1424-1433 作者: Liu Xiao-Long; Li Xiao-Xia; Han Song; Qiao Xian-Jie; Zhong Bei-Jing 收藏 \| 浏览/下载：32/0 \| 提交时间：2016/08/22 RP-3 Reaction mechanism ReaxFF MD Oxidation Molecular simulation