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期刊论文 [25]
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2019 [25]
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发表日期:2019
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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
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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:
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  |  
浏览/下载:58/0
  |  
提交时间:2019/12/02
Oil shale kerogen
Hydropyrolysis
Desulfurization
ReaxFF molecular dynamics
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
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  |  
浏览/下载:122/0
  |  
提交时间:2019/07/29
Anthracite coal
Mechanolysis mechanism
Fused aromatic ring
Coalification
ReaxFF MD
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
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  |  
浏览/下载:57/0
  |  
提交时间:2019/09/03
Low-rank coal pyrolysis
Tar products
ReaxFF MD simulation
Dynamic profile
Detailed structure
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
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浏览/下载:51/0
  |  
提交时间:2019/10/18
Chemical effect of NO on CH4 oxidation during combustion in O-2/NO environments
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 727, 页码: 59-65
作者:
Liu, Yalan
;
Zhang, Xuexiang
;
Ding, Junxia
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浏览/下载:60/0
  |  
提交时间:2019/06/20
Methane
Oxidation
Nitric oxide
Reactive molecular dynamics
Kinetic behavior
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
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  |  
浏览/下载:62/0
  |  
提交时间:2019/09/03
Oil shale
kerogen
molecular dynamics simulation
ReaxFF
steam pyrolysis
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
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浏览/下载:45/0
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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
chemical kinetics
hybrid MD
fbMC approach
kerogen
macromolecular models
pyrolysis
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:25/0
  |  
提交时间:2020/03/21
chemical kinetics
hybrid MD
fbMC approach
kerogen
macromolecular models
pyrolysis
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