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Visualized Reaction Tracking and Physical Property Analysis for a Picked 3D Area in a Reactive Molecular Dynamics Simulation System 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2021, 卷号: 37, 期号: 10, 页码: 11
作者:  Tang, Yujie;  Zheng, Mo;  Ren, Chunxing;  Li, Xiaoxia;  Guo, Li
收藏  |  浏览/下载：22/0  |  提交时间：2021/08/31
ReaxFF Molecular Dynamics Simulations of Thermal Reactivity of Various Fuels in Pyrolysis and Combustion 期刊论文
ENERGY & FUELS, 2021, 卷号: 35, 期号: 15, 页码: 11707-11739
作者:  Li, Xiaoxia;  Zheng, Mo;  Ren, Chunxing;  Guo, Li
收藏  |  浏览/下载：23/0  |  提交时间：2021/10/15
Dynamic migration mechanism of organic oxygen in Fugu coal pyrolysis by large-scale ReaxFF molecular dynamics 期刊论文
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2021, 卷号: 156, 页码: 9
作者:  Gao, Mingjie;  Li, Xiaoxia;  Guo, Xin;  Chen, Lei;  Sun, Laizhi
收藏  |  浏览/下载：24/0  |  提交时间：2021/08/31
Dynamic trends for char/soot formation during secondary reactions of coal pyrolysis by large-scale reactive molecular dynamics 期刊论文
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：18/0  |  提交时间：2021/08/31
Simulation methods of cotton pyrolysis based on ReaxFF and the in fl uence of volatile removal ratio on volatile evolution and char formation 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2021, 卷号: 405, 页码: 13
作者:  Batuer, Adili;  Chen, Dezhen;  He, Xingchu;  Huang, Zhen
收藏  |  浏览/下载：38/0  |  提交时间：2021/10/27
Dynamic Intermediate Profiles of Zeolite Catalyzed Methanol to Olefins Revealed by Reactive Molecular Dynamics 期刊论文
ENERGY & FUELS, 2021, 卷号: 35, 期号: 2, 页码: 1677-1690
作者:  Zheng, Mo;  Li, Xiaoxia;  Guo, Li;  Ge, Wei
收藏  |  浏览/下载：49/0  |  提交时间：2021/03/29
Capturing the dynamic profiles of products in Hailaer brown coal pyrolysis with reactive molecular simulations and experiments 期刊论文
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：4/0  |  提交时间：2020/05/21
Atomistic simulations of Epoxy/Water/Aluminum systems using the ReaxFF method 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 173, 页码: 11
作者:  Soleymanibrojeni, Mohammad;  Shi, Hongwei;  Liu, Fuchun;  Han, En-Hou
收藏  |  浏览/下载：38/0  |  提交时间：2021/02/02
Dynamic profiles of tar products during Naomaohu coal pyrolysis revealed by large-scale reactive molecular dynamic simulation 期刊论文
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：57/0  |  提交时间：2019/09/03
Comparison of RP-3 Pyrolysis Reactions between Surrogates and 45-Component Model by ReaxFF Molecular Dynamics Simulations 期刊论文
ENERGY & FUELS, 2019, 卷号: 33, 期号: 8, 页码: 7176-7187
作者:  Zhao, Pei;  Han, Song;  Li, Xiaoxia;  Zhu, Tong;  Tao, Xiaofang
收藏  |  浏览/下载：51/0  |  提交时间：2019/10/18

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