机构

• 过程工程研究所 [10]
• 化学研究所 [1]
• 大连化学物理研究所 [1]

采集方式

• OAI收割 [12]

内容类型

• 期刊论文 [12]

发表日期

• 2021 [1]
• 2019 [2]
• 2018 [2]
• 2016 [1]
• 2015 [2]
• 2014 [3]
• 更多

学科主题

筛选

浏览/检索结果: 共12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提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 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：54/0  |  提交时间：2021/08/31 ReaxFF molecular dynamics simulation  Coal pyrolysis  Organic oxygen  Evolution trend  Migration mechanism   Comparing product distribution and desulfurization during direct pyrolysis and hydropyrolysis of Longkou oil shale kerogen using reactive MD simulations 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2019, 卷号: 44, 期号: 47, 页码: 25335-25346 作者:  Zhang, Zhijun;  Guo, Liting;  Zhang, Hanyu;  Zhan, Jin-Hui   |  收藏  |  浏览/下载：74/0  |  提交时间：2019/12/02 Oil shale kerogen  Hydropyrolysis  Desulfurization  ReaxFF molecular dynamics   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：68/0  |  提交时间：2019/09/03 Oil shale  kerogen  molecular dynamics simulation  ReaxFF  steam pyrolysis   Investigation of N behavior during coal pyrolysis and oxidation using ReaxFF molecular dynamics 期刊论文  OAI收割 FUEL, 2018, 卷号: 233, 页码: 867-876 作者:  Zheng, Mo;  Li, Xiaoxia;  Guo, Li   |  收藏  |  浏览/下载：43/0  |  提交时间：2018/10/11 Reaxff Molecular Dynamics  Coal Pyrolysis  Coal Oxidation  Nox Emission  Nitrogen Transformation  Reaction Mechanisms   Pyrolysis simulations of Fugu coal by large-scale ReaxFF molecular dynamics 期刊论文  OAI收割 FUEL PROCESSING TECHNOLOGY, 2018, 卷号: 178, 页码: 197-205 作者:  Gao, Mingjie;  Li, Xiaoxia;  Guo, Li   |  收藏  |  浏览/下载：48/0  |  提交时间：2018/10/11 Reaxff Molecular Dynamics  Coal Pyrolysis  Fugu Coal  Reaction Mechanism  Pyrolyzate Yield Prediction  Elevated Temperature Effect   Primary understanding of non-isothermal pyrolysis behavior for oil shale kerogen using reactive molecular dynamics simulation 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2016, 卷号: 41, 期号: 28, 页码: 12093-12100 作者:  Qian, Yanan;  Zhan, Jin-Hui;  Lai, Dengguo;  Li, Mengya;  Liu, Xiaoxing 收藏  |  浏览/下载：29/0  |  提交时间：2016/11/21 Oil shale kerogen  Pyrolysis  ReaxFF molecular dynamics  Hydrocarbons   ReaxFF simulations of hydrothermal treatment of lignite and its impact on chemical structures 期刊论文  OAI收割 fuel, 2015, 卷号: 154, 页码: 243-251 作者:  Li, Guang-Yue;  Ding, Jun-Xia;  Zhang, Hang;  Hou, Cai-Xia;  Wang, Feng 收藏  |  浏览/下载：21/0  |  提交时间：2015/11/17 Lignite  Hydrothermal  Coal structure  ReaxFF  Molecular dynamics   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：25/0  |  提交时间：2015/04/01 reaction mechanism  ReaxFF molecular dynamics  GMD-Reax  coal pyrolysis simulation  VARMD   Reaction analysis and visualization of ReaxFF molecular dynamics simulations 期刊论文  OAI收割 JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2014, 卷号: 53, 期号: sep, 页码: 13-22 作者:  Liu, Jian;  Li, Xiaoxia;  Guo, Li;  Zheng, Mo;  Han, Junyi 收藏  |  浏览/下载：35/0  |  提交时间：2014/12/01 ReaxFF molecular dynamics  Large scale simulation  VARxMD  Chemical reaction analysis and visualization  Chemical reaction mechanisms  Cheminformatics  Chemical reaction parsing  Reaction pathway analysis  Chemical structure processing   Study of high density polyethylene (HDPE) pyrolysis with reactive molecular dynamics 期刊论文  OAI收割 POLYMER DEGRADATION AND STABILITY, 2014, 卷号: 104, 页码: 62-70 作者:  Liu, Xiaolong;  Li, Xiaoxia;  Liu, Jian;  Wang, Ze;  Kong, Bin   |  收藏  |  浏览/下载：35/0  |  提交时间：2019/04/09 Reaxff Md  Hdpe Pyrolysis  Chemical Reaction Mechanism  Reactive Molecular Dynamics  Varmd