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CORC

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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
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
作者:  Tang, Yujie;  Zheng, Mo;  Ren, Chunxing;  Li, Xiaoxia;  Guo, Li
收藏  |  浏览/下载：22/0  |  提交时间：2021/08/31
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
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
Atomic insights into the thermal runaway process of hydrogen peroxide and 1,3,5-trimethybenzene mixture: Combining ReaxFF MD and DFT methods 期刊论文
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, 2021, 卷号: 147, 页码: 578-588
作者:  Qian, Yanan;  Xu, Wei;  Zhan, Jin-Hui;  Jia, Xuewu;  Zhang, Fan
收藏  |  浏览/下载：16/0  |  提交时间：2021/08/31
Simulation methods of cotton pyrolysis based on ReaxFF and the in fl uence of volatile removal ratio on volatile evolution and char formation 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2021, 卷号: 405, 页码: 13
作者:  Batuer, Adili;  Chen, Dezhen;  He, Xingchu;  Huang, Zhen
收藏  |  浏览/下载：38/0  |  提交时间：2021/10/27
ReaxFF MD反应分子体系时空性质分析与可视化 学位论文
: 中国科学院大学, 2020
作者:  唐钰杰
收藏  |  浏览/下载：26/0  |  提交时间：2021/09/07
反应分子动力学模拟揭示CL-20共晶热分解全景式反应机理 学位论文
: 中国科学院大学, 2020
作者:  任春醒
收藏  |  浏览/下载：15/0  |  提交时间：2021/09/07
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
Polymerization of aluminate monomer in its initial nucleation stage of organic alkali solution revealed by ReaxFF molecular dynamics simulation 期刊论文
CHEMICAL PHYSICS LETTERS, 2020, 卷号: 739, 页码: 9
作者:  Guo, Jianwei;  Liu, Shuangyi;  Wang, Zhi;  Cao, Jianwei;  Wang, Dong
收藏  |  浏览/下载：4/0  |  提交时间：2020/03/24

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