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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：19/0  |  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：22/0  |  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：21/0  |  提交时间：2021/08/31
干酪根成熟演化的化学−力学耦合机制研究 学位论文
北京: 中国科学院大学, 2021
作者:  王晓荷
收藏  |  浏览/下载：100/0  |  提交时间：2021/06/03
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：16/0  |  提交时间：2021/08/31
Atomic insights into the thermal runaway process of hydrogen peroxide and 1,3,5-trimethybenzene mixture: Combining ReaxFF MD and DFT methods 期刊论文
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, 2021, 卷号: 147, 页码: 578-588
作者:  Qian, Yanan;  Xu, Wei;  Zhan, Jin-Hui;  Jia, Xuewu;  Zhang, Fan
收藏  |  浏览/下载：16/0  |  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：48/0  |  提交时间：2021/03/29
Refining Fuel Composition of RP-3 Chemical Surrogate Models by Reactive Molecular Dynamics and Machine Learning 期刊论文
ENERGY & FUELS, 2020, 卷号: 34, 期号: 9, 页码: 11381-11394
作者:  Han, Song;  Li, Xiaoxia;  Guo, Li;  Sun, Haiyun;  Zheng, Mo
收藏  |  浏览/下载：39/0  |  提交时间：2021/03/29
ReaxFF MD反应分子体系时空性质分析与可视化 学位论文
: 中国科学院大学, 2020
作者:  唐钰杰
收藏  |  浏览/下载：26/0  |  提交时间：2021/09/07

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