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Chinese Academy of Sciences Institutional Repositories Grid
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浏览/检索结果: 共24条,第1-10条 帮助

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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
  |  收藏  |  浏览/下载:20/0  |  提交时间:2023/02/24
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
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:  
  |  收藏  |  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
  |  收藏  |  浏览/下载:0/0  |  提交时间:2023/06/26
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
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
  |  收藏  |  浏览/下载:40/0  |  提交时间:2021/08/31
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
  |  收藏  |  浏览/下载:25/0  |  提交时间:2021/08/31
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
  |  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
  |  收藏  |  浏览/下载:7/0  |  提交时间:2021/12/01