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Reaction Mechanisms in Pyrolysis of Hardwood, Softwood, and Kraft Lignin Revealed by ReaxFF MD Simulations 期刊论文
ENERGY & FUELS, 2019, 卷号: 33, 期号: 11, 页码: 11210-11225
作者:  Zhang, Tingting;  Li, Xiaoxia;  Gao, Li;  Guo, Xin
收藏  |  浏览/下载：4/0  |  提交时间：2020/03/24
Comparing product distribution and desulfurization during direct pyrolysis and hydropyrolysis of Longkou oil shale kerogen using reactive MD simulations 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2019, 卷号: 44, 期号: 47, 页码: 25335-25346
作者:  Zhang, Zhijun;  Guo, Liting;  Zhang, Hanyu;  Zhan, Jin-Hui
收藏  |  浏览/下载：58/0  |  提交时间：2019/12/02
Mechanolysis mechanisms of the fused aromatic rings of anthracite coal under shear stress 期刊论文
FUEL, 2019, 卷号: 253, 页码: 1247-1255
作者:  Wang, Jin;  Guo, Guang-Jun;  Han, Yuzhen;  Hou, Quanlin;  Geng, Ming
收藏  |  浏览/下载：122/0  |  提交时间：2019/07/29
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
ReaxFF MD模拟结果的化学反应网络自动构建及可视化 学位论文
: 中国科学院大学, 2019
作者:  贺巧鑫
收藏  |  浏览/下载：0/0  |  提交时间：2020/06/17
府谷次烟煤热解的反应分子动力学模拟 学位论文
: 中国科学院大学, 2019
作者:  高明杰
收藏  |  浏览/下载：7/0  |  提交时间：2020/06/17
Structural model of Longkou oil shale kerogen and the evolution process under steam pyrolysis based on ReaxFF molecular dynamics simulation 期刊论文
ENERGY SOURCES PART A-RECOVERY UTILIZATION AND ENVIRONMENTAL EFFECTS, 2019, 页码: 14
作者:  Zhang, Zhijun;  Chai, Jun;  Zhang, Hanyu;  Guo, Liting;  Zhan, Jin-Hui
收藏  |  浏览/下载：62/0  |  提交时间：2019/09/03
Chemical Insight on Decreased Sensitivity of CL-20/TNT Cocrystal Revealed by ReaxFF MD Simulations 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 期号: 5, 页码: 2079-2092
作者:  Ren, Chunxing;  Li, Xiaoxia;  Guo, Li
收藏  |  浏览/下载：45/0  |  提交时间：2019/09/03
The Constructions and Pyrolysis of 3D Kerogen Macromolecular Models: Experiments and Simulations 期刊论文
GLOBAL CHALLENGES, 2019, 卷号: 3, 期号: 5, 页码: 1900006
作者:  Wang XH(王晓荷);  Huang XF(黄先富);  Lin K(林岿);  Zhao YP(赵亚溥)
收藏  |  浏览/下载：60/0  |  提交时间：2020/03/21

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