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过程工程研究所 [7]
清华大学 [2]
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期刊论文 [13]
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Atomic-level analysis of migration and transformation of organic sodium in high-alkali coal pyrolysis using reactive molecular dynamics simulations
期刊论文
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING, 2023, 卷号: 11, 期号: 3, 页码: 110189
作者:
Sun C(孙岑)
;
Zhu, Aixue
;
Xu, Tong
;
Wei XL(魏小林)
;
Hong, Dikun
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/09/05
Inherent organic sodium
ReaxFF
Pyrolysis
Molecular simulation
Py-GC/MS
Dynamic migration mechanism of organic oxygen in Fugu coal pyrolysis by large-scale ReaxFF molecular dynamics
期刊论文
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:24/0
  |  
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
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:18/0
  |  
提交时间:2021/08/31
Char
soot precursors
Secondary reactions
Large-scale ReaxFF MD simulation
Tar radicals
Competitive reactions
Insight into Tar Formation Mechanism during Catalytic Pyrolysis of Biomass over Waste Aluminum Dross
期刊论文
APPLIED SCIENCES-BASEL, 2021, 卷号: 11, 期号: 1, 页码: 15
作者:
Liu, Peng
;
Liu, Li
;
Zhou, Zhengzhong
;
Yuan, Haoran
;
Zheng, Tao
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2021/10/27
catalytic pyrolysis
tar formation
carbon structure
waste aluminum dross
free radical
Risk evaluation of environmentally persistent free radicals in airborne particulate matter and influence of atmospheric factors
期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2020, 卷号: 196, 页码: 1-9
作者:
Xu, Yang
;
Yang, Lili
;
Wang, Xiaoping
;
Zheng, Minghui
;
Li, Cui
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/09/14
Environmentally persistent free radicals
Airborne fine particulate matter
Daily inhalation risk
Air pollution
Haze days
Capturing the dynamic profiles of products in Hailaer brown coal pyrolysis with reactive molecular simulations and experiments
期刊论文
FUEL, 2020, 卷号: 268, 页码: 12
作者:
Zheng, Mo
;
Pan, Yang
;
Wang, Ze
;
Li, Xiaoxia
;
Guo, Li
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2020/05/21
Coal pyrolysis
SVUV-PIMS
ReaxFF MD simulation
Py-GC/MS
Reaction pathways
Catalytic upgrading of volatiles from coal pyrolysis over sulfated carbon-based catalysts derived from waste red oil
期刊论文
FUEL PROCESSING TECHNOLOGY, 2019, 卷号: 189, 页码: 98-109
作者:
Wang, Deliang
;
Chen, Zhaohui
;
Zhou, Zhimao
;
Wang, Demin
;
Yu, Jian
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  |  
浏览/下载:53/0
  |  
提交时间:2019/06/14
Catalytic pyrolysis
Sulfated carbon-based catalysts
Red oil
Red oil-derived carbon materials
Tar upgrading
Integrated Process of Coal Pyrolysis with Steam Reforming of Ethane for Improving the Tar Yield
期刊论文
ENERGY & FUELS, 2018, 卷号: 32, 页码: 12268-12276
作者:
Wu, Yong
;
Li, Yang
;
Jin, Lijun
;
Ho, Haoquan
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/12/02
Aromatic compounds
Coal
Deuterium
Distillation
Ethane
Free radicals
Gel permeation chromatography
Heavy water
Molecular weight distribution
Pyrolysis
Steam reforming, Aromatic carbon
Aromatic protons
Asphaltene content
Formation mechanism
Fraction distribution
Simulated distillation
Steam reforming of methane
Structural information, Coal tar
Pyrolysis of Liulin Coal Simulated by GPU-Based ReaxFF MD with Cheminformatics Analysis
期刊论文
ENERGY & FUELS, 2014, 卷号: 28, 期号: 1, 页码: 522-534
作者:
Zheng, Mo
;
Li, Xiaoxia
;
Liu, Jian
;
Wang, Ze
;
Gong, Xiaomin
收藏
  |  
浏览/下载:68/0
  |  
提交时间:2014/05/06
reactive force-field
molecular-dynamics simulations
model
nmr
devolatilization
hydrocarbons
combustion
oxidation
kinetics
mobile
Fuel-N Evolution during the Pyrolysis of Industrial Biomass Wastes with High Nitrogen Content
期刊论文
ENERGIES, 2012, 卷号: 5, 期号: 12, 页码: 5418-5438
作者:
Chen, Hongfang
;
Wang, Yin
;
Xu, Guangwen
;
Yoshikawa, Kunio
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2013/10/09
Fuel-N
industrial biomass wastes
pyrolysis
NOx precursors
Tar-N
Char-N
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