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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
Authors:  Zheng, Mo;  Pan, Yang;  Wang, Ze;  Li, Xiaoxia;  Guo, Li
Favorite  |  View/Download:9/0  |  Submit date:2020/05/21
Coal pyrolysis  SVUV-PIMS  ReaxFF MD simulation  Py-GC/MS  Reaction pathways  
Reactive molecular dynamic simulations of the CO2 gasification effect on the oxy-fuel combustion of Zhundong coal char 期刊论文
FUEL PROCESSING TECHNOLOGY, 2020, 卷号: 199, 页码: 10
Authors:  Hong, Dikun;  Si, Ting;  Li, Xiaoxia;  Guo, Xin
Favorite  |  View/Download:17/0  |  Submit date:2020/03/24
Oxy-fuel combustion  Zhundong coal char  CO2 gasification  Reactive force field  
Decomposition mechanism scenarios of CL-20 co-crystals revealed by ReaxFF molecular dynamics: similarities and differences 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 5, 页码: 2827-2840
Authors:  Ren, Chunxing;  Liu, Han;  Li, Xiaoxia;  Guo, Li
Favorite  |  View/Download:7/0  |  Submit date:2020/05/06
Reaction Mechanisms in Pyrolysis of Hardwood, Softwood, and Kraft Lignin Revealed by ReaxFF MD Simulations 期刊论文
ENERGY & FUELS, 2019, 卷号: 33, 期号: 11, 页码: 11210-11225
Authors:  Zhang, Tingting;  Li, Xiaoxia;  Gao, Li;  Guo, Xin
Favorite  |  View/Download:11/0  |  Submit date:2020/03/24
Dynamic profiles of tar products during Naomaohu coal pyrolysis revealed by large-scale reactive molecular dynamic simulation 期刊论文
FUEL, 2019, 卷号: 253, 页码: 910-920
Authors:  Zheng, Mo;  Li, Xiaoxia;  Wang, Meijun;  Guo, Li
Favorite  |  View/Download:32/0  |  Submit date:2019/09/03
Low-rank coal pyrolysis  Tar products  ReaxFF MD simulation  Dynamic profile  Detailed structure  
Extraction, Characterization, Antitumor and Immunological Activities of Hemicellulose Polysaccharide from Astragalus radix Herb Residue 期刊论文
MOLECULES, 2019, 卷号: 24, 期号: 20, 页码: 21
Authors:  Li, Ke;  Li, Shuying;  Wang, Di;  Li, Xiaoxia;  Wu, Xingkang;  Liu, Xiaojie;  Du, Guanhua;  Li, Xianrong;  Qin, Xuemei;  Du, Yuguang
Favorite  |  View/Download:13/0  |  Submit date:2020/03/24
Astragalus radix herb residue  hemicellulose polysaccharide  characterization  antitumor  immunomodulatory  
Comparison of RP-3 Pyrolysis Reactions between Surrogates and 45-Component Model by ReaxFF Molecular Dynamics Simulations 期刊论文
ENERGY & FUELS, 2019, 卷号: 33, 期号: 8, 页码: 7176-7187
Authors:  Zhao, Pei;  Han, Song;  Li, Xiaoxia;  Zhu, Tong;  Tao, Xiaofang;  Guo, Li
Favorite  |  View/Download:19/0  |  Submit date:2019/10/18
Effect of electrolyte reuse on metal recovery from waste CPU slots by slurry electrolysis 期刊论文
WASTE MANAGEMENT, 2019, 卷号: 95, 页码: 370-376
Authors:  Yi, Xiaoxia;  Qi, Yaping;  Li, Feifan;  Shu, Jiancheng;  Sun, Zhi;  Sun, Shuhui;  Chen, Mengjun;  Pu, Shengyan
Favorite  |  View/Download:14/0  |  Submit date:2020/03/24
Waste CPU slots  Slurry electrolysis  Electrolyte reuse  Precious metal  Metal distribution  
Chemical Insight on Decreased Sensitivity of CL-20/TNT Cocrystal Revealed by ReaxFF MD Simulations 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 期号: 5, 页码: 2079-2092
Authors:  Ren, Chunxing;  Li, Xiaoxia;  Guo, Li
Favorite  |  View/Download:32/0  |  Submit date:2019/09/03
Construction of a Multicomponent Molecular Model of Fugu Coal for ReaxFF-MD Pyrolysis Simulation 期刊论文
ENERGY & FUELS, 2019, 卷号: 33, 期号: 4, 页码: 2848-2858
Authors:  Gao, Mingjie;  Li, Xiaoxia;  Ren, Chunxing;  Wang, Ze;  Pan, Yang;  Guo, Li
Favorite  |  View/Download:59/0  |  Submit date:2019/06/14