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Investigation of N Transfer during Coal Char Oxidation by Reactive Molecular Dynamics 期刊论文
ENERGY & FUELS, 2022, 页码: 11
Authors:  Zheng, Mo;  Li, Xiaoxia
Favorite  |  View/Download：14/0  |  Submit date：2023/02/24
Overall mechanism of JP-10 pyrolysis unraveled by large-scale reactive molecular dynamics simulation 期刊论文
COMBUSTION AND FLAME, 2022, 卷号: 237, 页码: 12
Authors:  Liu, Han;  Liang, Jinhu;  He, Ruining;  Li, Xiaoxia;  Zheng, Mo;  Ren, Chunxing;  An, Gaojun;  Xu, Ximeng;  Zheng, Zhe
Favorite  |  View/Download：44/0  |  Submit date：2022/06/15
JP-10  ReaxFF MD  Shock tube  Pyrolysis mechanism  
Visualized Reaction Tracking and Physical Property Analysis for a Picked 3D Area in a Reactive Molecular Dynamics Simulation System 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2021, 卷号: 37, 期号: 10, 页码: 11
Authors:  Tang, Yujie;  Zheng, Mo;  Ren, Chunxing;  Li, Xiaoxia;  Guo, Li
Favorite  |  View/Download：75/0  |  Submit date：2021/08/31
ReaxFF MD  Regional reaction tracking  Physical property  Visualization  
ReaxFF Molecular Dynamics Simulations of Thermal Reactivity of Various Fuels in Pyrolysis and Combustion 期刊论文
ENERGY & FUELS, 2021, 卷号: 35, 期号: 15, 页码: 11707-11739
Authors:  Li, Xiaoxia;  Zheng, Mo;  Ren, Chunxing;  Guo, Li
Favorite  |  View/Download：56/0  |  Submit date：2021/10/15
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
Authors:  Gao, Mingjie;  Li, Xiaoxia;  Guo, Xin;  Chen, Lei;  Sun, Laizhi;  Yang, Shuangxia;  Xie, Xinping;  Hua, Dongliang
Favorite  |  View/Download：55/0  |  Submit date：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
Authors:  Zheng, Mo;  Li, Xiaoxia;  Guo, Li
Favorite  |  View/Download：44/0  |  Submit date：2021/08/31
Char  soot precursors  Secondary reactions  Large-scale ReaxFF MD simulation  Tar radicals  Competitive reactions  
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
Favorite  |  View/Download：50/0  |  Submit date：2021/03/29
黄芪活性多糖APS-II的酸降解及其降解寡糖的结构和免疫活性研究 期刊论文
药学学报, 2021, 卷号: 56, 期号: 8, 页码: 2266
Authors:  石丽霞;  李科;  焦思明;  崔连杰;  秦雪梅;  杜昱光;  李震宇;  李晓霞
Favorite  |  View/Download：2/0  |  Submit date：2023/05/22
APS-Ⅱ  partial acid hydrolysis  mass spectrometry analysis  separate preparation  immune activity evaluation  APS-Ⅱ  部分酸水解  质谱解析  分离制备  免疫活性评价  
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
Favorite  |  View/Download：37/0  |  Submit date：2021/03/29
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：74/0  |  Submit date：2020/05/21
Coal pyrolysis  SVUV-PIMS  ReaxFF MD simulation  Py-GC/MS  Reaction pathways