机构

• 过程工程研究所 [9]
• 力学研究所 [1]
• 武汉岩土力学研究所 [1]

采集方式

• OAI收割 [11]

内容类型

• 期刊论文 [11]

发表日期

• 2023 [1]
• 2022 [1]
• 2021 [2]
• 2020 [2]
• 2019 [2]
• 2016 [1]
• 更多

学科主题

• Materials ... [1]

筛选

浏览/检索结果: 共11条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序作者升序作者降序 Atomic-level analysis of migration and transformation of organic sodium in high-alkali coal pyrolysis using reactive molecular dynamics simulations 期刊论文  OAI收割 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：26/0  |  提交时间：2023/09/05 Inherent organic sodium  ReaxFF  Pyrolysis  Molecular simulation  Py-GC/MS   Chemical weathering mechanism of Albite-rich rocks in Grottoes under an acidic environment: An atomistic view from ReaxFF simulation 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 211 作者:  Wang, Junxia   |  收藏  |  浏览/下载：12/0  |  提交时间：2023/08/02 ReaxFF simulation  Grottoes  Dissociation  Breakage  Migration   Dynamic migration mechanism of organic oxygen in Fugu coal pyrolysis by large-scale ReaxFF molecular dynamics 期刊论文  OAI收割 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：58/0  |  提交时间：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  OAI收割 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：44/0  |  提交时间：2021/08/31 Char  soot precursors  Secondary reactions  Large-scale ReaxFF MD simulation  Tar radicals  Competitive reactions   Capturing the dynamic profiles of products in Hailaer brown coal pyrolysis with reactive molecular simulations and experiments 期刊论文  OAI收割 FUEL, 2020, 卷号: 268, 页码: 12 作者:  Zheng, Mo   |  收藏  |  浏览/下载：46/0  |  提交时间：2020/05/21 Coal pyrolysis  SVUV-PIMS  ReaxFF MD simulation  Py-GC/MS  Reaction pathways   Polymerization of aluminate monomer in its initial nucleation stage of organic alkali solution revealed by ReaxFF molecular dynamics simulation 期刊论文  OAI收割 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：43/0  |  提交时间：2020/03/24 Polymerization  Aluminate  Organic alkali  Initial nucleation stage  ReaxFF simulation   Dynamic profiles of tar products during Naomaohu coal pyrolysis revealed by large-scale reactive molecular dynamic simulation 期刊论文  OAI收割 FUEL, 2019, 卷号: 253, 页码: 910-920 作者:  Zheng, Mo;  Li, Xiaoxia;  Wang, Meijun;  Guo, Li   |  收藏  |  浏览/下载：73/0  |  提交时间：2019/09/03 Low-rank coal pyrolysis  Tar products  ReaxFF MD simulation  Dynamic profile  Detailed structure   Structural model of Longkou oil shale kerogen and the evolution process under steam pyrolysis based on ReaxFF molecular dynamics simulation 期刊论文  OAI收割 ENERGY SOURCES PART A-RECOVERY UTILIZATION AND ENVIRONMENTAL EFFECTS, 2019, 页码: 14 作者:  Zhang, Zhijun;  Chai, Jun;  Zhang, Hanyu;  Guo, Liting;  Zhan, Jin-Hui   |  收藏  |  浏览/下载：74/0  |  提交时间：2019/09/03 Oil shale  kerogen  molecular dynamics simulation  ReaxFF  steam pyrolysis   Initial Reaction Mechanism of RP-3 High Temperature Oxidation Simulated with ReaxFF MD 期刊论文  OAI收割 ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 6, 页码: 1424-1433 作者:  Liu Xiao-Long;  Li Xiao-Xia;  Han Song;  Qiao Xian-Jie;  Zhong Bei-Jing 收藏  |  浏览/下载：32/0  |  提交时间：2016/08/22 RP-3  Reaction mechanism  ReaxFF MD  Oxidation  Molecular simulation   Revealing chemical reactions of coal pyrolysis with GPU-enabled ReaxFF molecular dynamics and cheminformatics analysis 期刊论文  OAI收割 MOLECULAR SIMULATION, 2015, 卷号: 41, 期号: 1-3, 页码: 13-27 作者:  Li, Xiaoxia;  Mo, Zheng;  Liu, Jian;  Guo, Li 收藏  |  浏览/下载：31/0  |  提交时间：2015/04/01 reaction mechanism  ReaxFF molecular dynamics  GMD-Reax  coal pyrolysis simulation  VARMD