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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 [23]
宁波材料技术与工程研... [1]
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OAI收割 [24]
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期刊论文 [17]
学位论文 [7]
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2023 [1]
2022 [4]
2021 [5]
2020 [1]
2019 [3]
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Coal [1]
Condensati... [1]
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Pyrolytic stage evolution mechanism of Zhundong coal based on reaction consistency analysis of mono/multi molecular models
期刊论文
OAI收割
FUEL, 2023, 卷号: 333, 页码: 17
作者:
Xin, Haihui
;
Zhou, Banghao
;
Tian, Wenjiang
;
Qi, Xu-yao
;
Zheng, Mo
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收藏
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浏览/下载:20/0
  |  
提交时间:2023/02/24
Coal pyrolysis
ReaxFF
Coal fire
Reaction pathway
Chemical structure effects on coal pyrolyzates and reactions by using large-scale reactive molecular dynamics
期刊论文
OAI收割
Fuel, 2022, 卷号: 327
作者:
Zheng, Mo
;
Li, Xiaoxia
;
Bai, Jin
;
Guo, Li
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2023/06/26
Cracking (chemical) - Indicators (chemical) - Mapping - Molecular dynamics - Reaction kinetics - Structure (composition) - Temperature - Thermogravimetric analysis
Investigation of N Transfer during Coal Char Oxidation by Reactive Molecular Dynamics
期刊论文
OAI收割
ENERGY & FUELS, 2022, 页码: 11
作者:
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收藏
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浏览/下载:13/0
  |  
提交时间:2023/02/24
Revealing reaction compromise in competition for volatile radicals during coal pryolysis via ReaxFF MD simulation
期刊论文
OAI收割
Huagong Xuebao/CIESC Journal, 2022, 卷号: 73, 期号: 6, 页码: 2732-2741
作者:
Zheng, Mo
;
Li, Xiaoxia
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收藏
  |  
浏览/下载:0/0
  |  
提交时间:2023/06/26
Bituminous coal - Condensation - Pyrolysis - Stabilization - Tar - Temperature
Overall mechanism of JP-10 pyrolysis unraveled by large-scale reactive molecular dynamics simulation
期刊论文
OAI收割
COMBUSTION AND FLAME, 2022, 卷号: 237, 页码: 12
作者:
Liu, Han
;
Liang, Jinhu
;
He, Ruining
;
Li, Xiaoxia
;
Zheng, Mo
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2022/06/15
JP-10
ReaxFF MD
Shock tube
Pyrolysis mechanism
ReaxFF Molecular Dynamics Simulations of Thermal Reactivity of Various Fuels in Pyrolysis and Combustion
期刊论文
OAI收割
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:76/0
  |  
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
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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收藏
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浏览/下载:40/0
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提交时间:2021/08/31
ReaxFF molecular dynamics simulation
Coal pyrolysis
Organic oxygen
Evolution trend
Migration mechanism
Dynamic trends for char/soot formation during secondary reactions of coal pyrolysis by large-scale reactive molecular dynamics
期刊论文
OAI收割
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2021, 卷号: 155, 页码: 11
作者:
Zheng, Mo
;
Li, Xiaoxia
;
Guo, Li
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收藏
  |  
浏览/下载:25/0
  |  
提交时间:2021/08/31
Char
soot precursors
Secondary reactions
Large-scale ReaxFF MD simulation
Tar radicals
Competitive reactions
Dynamic Intermediate Profiles of Zeolite Catalyzed Methanol to Olefins Revealed by Reactive Molecular Dynamics
期刊论文
OAI收割
ENERGY & FUELS, 2021, 卷号: 35, 期号: 2, 页码: 1677-1690
作者:
Zheng, Mo
;
Li, Xiaoxia
;
Guo, Li
;
Ge, Wei
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收藏
  |  
浏览/下载:18/0
  |  
提交时间:2021/03/29
The DFT-ReaxFF Hybrid Reactive Dynamics Method with Application to the Reductive Decomposition Reaction of the TFSI and DOL Electrolyte at a Lithium-Metal Anode Surface
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 卷号: 12, 期号: 4, 页码: 1300-1306
作者:
Liu, Yue
;
Yu, Peiping
;
Wu, Yu
;
Yang, Hao
;
Xie, Miao
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收藏
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浏览/下载:7/0
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提交时间:2021/12/01