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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
过程工程研究所 [10]
化学研究所 [1]
大连化学物理研究所 [1]
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OAI收割 [12]
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期刊论文 [12]
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2021 [1]
2019 [2]
2018 [2]
2016 [1]
2015 [2]
2014 [3]
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Dynamic migration mechanism of organic oxygen in Fugu coal pyrolysis by large-scale ReaxFF molecular dynamics
期刊论文
OAI收割
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
  |  
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Comparing product distribution and desulfurization during direct pyrolysis and hydropyrolysis of Longkou oil shale kerogen using reactive MD simulations
期刊论文
OAI收割
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
  |  
Structural model of Longkou oil shale kerogen and the evolution process under steam pyrolysis based on ReaxFF molecular dynamics simulation
期刊论文
OAI收割
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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Investigation of N behavior during coal pyrolysis and oxidation using ReaxFF molecular dynamics
期刊论文
OAI收割
FUEL, 2018, 卷号: 233, 页码: 867-876
作者:
Zheng, Mo
;
Li, Xiaoxia
;
Guo, Li
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Pyrolysis simulations of Fugu coal by large-scale ReaxFF molecular dynamics
期刊论文
OAI收割
FUEL PROCESSING TECHNOLOGY, 2018, 卷号: 178, 页码: 197-205
作者:
Gao, Mingjie
;
Li, Xiaoxia
;
Guo, Li
  |  
收藏
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Primary understanding of non-isothermal pyrolysis behavior for oil shale kerogen using reactive molecular dynamics simulation
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2016, 卷号: 41, 期号: 28, 页码: 12093-12100
作者:
Qian, Yanan
;
Zhan, Jin-Hui
;
Lai, Dengguo
;
Li, Mengya
;
Liu, Xiaoxing
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ReaxFF simulations of hydrothermal treatment of lignite and its impact on chemical structures
期刊论文
OAI收割
fuel, 2015, 卷号: 154, 页码: 243-251
作者:
Li, Guang-Yue
;
Ding, Jun-Xia
;
Zhang, Hang
;
Hou, Cai-Xia
;
Wang, Feng
收藏
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Revealing chemical reactions of coal pyrolysis with GPU-enabled ReaxFF molecular dynamics and cheminformatics analysis
期刊论文
OAI收割
MOLECULAR SIMULATION, 2015, 卷号: 41, 期号: 1-3, 页码: 13-27
作者:
Li, Xiaoxia
;
Mo, Zheng
;
Liu, Jian
;
Guo, Li
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Reaction analysis and visualization of ReaxFF molecular dynamics simulations
期刊论文
OAI收割
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2014, 卷号: 53, 期号: sep, 页码: 13-22
作者:
Liu, Jian
;
Li, Xiaoxia
;
Guo, Li
;
Zheng, Mo
;
Han, Junyi
收藏
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Study of high density polyethylene (HDPE) pyrolysis with reactive molecular dynamics
期刊论文
OAI收割
POLYMER DEGRADATION AND STABILITY, 2014, 卷号: 104, 页码: 62-70
作者:
Liu, Xiaolong
;
Li, Xiaoxia
;
Liu, Jian
;
Wang, Ze
;
Kong, Bin
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