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浏览/检索结果: 共116条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 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：19/0  |  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   ReaxFF MD模拟揭示的煤热解挥发分自由基反应的竞争与协调 期刊论文  OAI收割 化工学报, 2022, 卷号: 73, 期号: 06, 页码: 2732-2741 作者:  郑默;  李晓霞   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/06/08 分子模拟  化学反应  介尺度  煤热解  挥发分自由基  竞争协调   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