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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 [46]
力学研究所 [4]
宁波材料技术与工程研... [2]
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OAI收割 [58]
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期刊论文 [41]
学位论文 [13]
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物理化学 [2]
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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
Coal pyrolysis
ReaxFF
Coal fire
Reaction pathway
Co-pyrolysis behaviors of coal and polyethylene by combining in-situ Py-TOF-MS and reactive molecular dynamics
期刊论文
OAI收割
FUEL, 2023, 卷号: 331, 页码: 14
作者:
Feng, Wei
;
Zheng, Mo
;
Jin, Lijun
;
Bai, Jin
;
Kong, Lingxue
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2023/02/24
Low-rank coal
Polyethylene
Co-pyrolysis
ReaxFF MD
Py-TOF-MS
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:
Zheng, Mo
;
Li, Xiaoxia
  |  
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
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
Chemical interplay between components in overall thermolysis of CL-20/N2O revealed by ReaxFF molecular dynamics simulations
期刊论文
OAI收割
Energetic Materials Frontiers, 2022, 卷号: 3, 期号: 1, 页码: 44935
作者:
Ren, Chun-xing
;
Li, Xiao-xia
;
Guo, Li
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2023/06/26
Chlorine compounds - Crystals - Isotherms - Molecular dynamics - Nitrogen oxides - Reaction kinetics - Temperature
Visualized Reaction Tracking and Physical Property Analysis for a Picked 3D Area in a Reactive Molecular Dynamics Simulation System
期刊论文
OAI收割
ACTA PHYSICO-CHIMICA SINICA, 2021, 卷号: 37, 期号: 10, 页码: 11
作者:
Tang, Yujie
;
Zheng, Mo
;
Ren, Chunxing
;
Li, Xiaoxia
;
Guo, Li
  |  
收藏
  |  
浏览/下载:79/0
  |  
提交时间:2021/08/31
ReaxFF MD
Regional reaction tracking
Physical property
Visualization
Gas generation mechanisms of bituminous coal under shear stress based on ReaxFF molecular dynamics simulation
期刊论文
OAI收割
FUEL, 2021, 卷号: 298, 页码: 9
作者:
Wang, Jin
;
Hou, Quanlin
;
Zeng, Fangui
;
Guo, Guang-Jun
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2021/10/19
Bituminous coal
Mechanolysis mechanism
Gas generation
Free radicals
ReaxFF MD
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