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Dynamic Intermediate Profiles of Zeolite Catalyzed Methanol to Olefins Revealed by Reactive Molecular Dynamics 期刊论文
ENERGY & FUELS, 2021, 卷号: 35, 期号: 2, 页码: 1677-1690
Authors:  Zheng, Mo;  Li, Xiaoxia;  Guo, Li;  Ge, Wei
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Refining Fuel Composition of RP-3 Chemical Surrogate Models by Reactive Molecular Dynamics and Machine Learning 期刊论文
ENERGY & FUELS, 2020, 卷号: 34, 期号: 9, 页码: 11381-11394
Authors:  Han, Song;  Li, Xiaoxia;  Guo, Li;  Sun, Haiyun;  Zheng, Mo;  Ge, Wei
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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:35/0  |  Submit date:2020/05/21
Coal pyrolysis  SVUV-PIMS  ReaxFF MD simulation  Py-GC/MS  Reaction pathways  
A novel and efficient ammonia leaching method for recycling waste lithium ion batteries 期刊论文
JOURNAL OF CLEANER PRODUCTION, 2020, 卷号: 251, 页码: 9
Authors:  Qi, Yaping;  Meng, Fansong;  Yi, Xiaoxia;  Shu, Jiancheng;  Chen, Mengjun;  Sun, Zhi;  Sun, Shuhui;  Xiu, Fu-Rong
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Waste Libs  Recovery  Leaching Kinetics  Ammonia Leaching  
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
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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
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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
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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:61/0  |  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
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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:42/0  |  Submit date:2019/10/18