机构

• 过程工程研究所 [4]

采集方式

• OAI收割 [4]

内容类型

• 期刊论文 [4]

发表日期

• 2021 [1]
• 2019 [1]
• 2015 [1]
• 2014 [1]

学科主题

筛选

浏览/检索结果: 共4条，第1-4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   |  收藏  |  浏览/下载：56/0  |  提交时间：2021/08/31 ReaxFF molecular dynamics simulation  Coal pyrolysis  Organic oxygen  Evolution trend  Migration mechanism   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：71/0  |  提交时间：2019/09/03 Oil shale  kerogen  molecular dynamics simulation  ReaxFF  steam pyrolysis   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：26/0  |  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：38/0  |  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