机构

• 大连化学物理研究所 [15]
• 过程工程研究所 [14]
• 近代物理研究所 [5]
• 金属研究所 [4]
• 上海应用物理研究所 [4]
• 化学研究所 [2]
• 更多

采集方式

• OAI收割 [46]
• iSwitch采集 [2]

内容类型

• 期刊论文 [47]
• 会议论文 [1]

发表日期

• 2023 [2]
• 2022 [3]
• 2021 [2]
• 2020 [4]
• 2019 [6]
• 2018 [4]
• 更多

学科主题

• Chemistry [1]
• Coal [1]
• Graphics P... [1]
• Thermolysi... [1]

筛选

浏览/检索结果: 共48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 Trans-level multi-scale simulation of porous catalytic systems: Bridging reaction kinetics and reactor performance 期刊论文  OAI收割 CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 455, 页码: 14 作者:  Li, Chengxiang;  Xu, Ji;  Qiu, Tianhao;  Sun, Zikang;  Zhang, Haolei   |  收藏  |  浏览/下载：43/0  |  提交时间：2023/02/24 Multi-scale model  Molecular dynamics simulation  Reaction kinetics  Catalyst  Mesoscale   Interfacial role of Ionic liquids in CO2 electrocatalytic Reduction: A mechanistic investigation 期刊论文  OAI收割 CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 457, 页码: 10 作者:  Guo, Shuai;  Liu, Yawei;  Wang, Yanlei;  Dong, Kun;  Zhang, Xiangping   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/05/19 Ionic liquids  CO(2 )electrocatalytic reduction reaction  Density functional theory  Transition state  Hydrogen bond  Molecular dynamics simulations   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   Concentration fluctuation caused by reaction-diffusion coupling near catalytic active sites 期刊论文  OAI收割 CHINESE JOURNAL OF CHEMICAL ENGINEERING, 2022, 卷号: 50, 页码: 254-263 作者:  Zhang, Haolei;  Zhao, Mingcan;  Li, Yanping;  Li, Chengxiang;  Ge, Wei   |  收藏  |  浏览/下载：24/0  |  提交时间：2023/02/24 Molecular dynamics simulation  Concentration fluctuation  Reaction-diffusion coupling  Catalyst   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   In situ transmission electron microscopy study and molecular dynamics simulation of dislocation loop evolution in FeCrAl alloys under Fe+ irradiation 期刊论文  OAI收割 MATERIALS TODAY ENERGY, 2021, 卷号: 21, 页码: 12 作者:  Li, Y. P.;  Yu, M. S.;  Ran, G.;  Gao, N.;  Chen, Y.   |  收藏  |  浏览/下载：43/0  |  提交时间：2021/12/08 In situ TEM observation  Loop reaction  Molecular dynamics simulation  Fuel cladding  Irradiation damage   Experimental and theoretical investigation of the control and balance of active sites on oxygen plasma-functionalized MoSe 2 nanosheets for efficient hydrogen evolution reaction 期刊论文  OAI收割 APPLIED CATALYSIS B-ENVIRONMENTAL, 2021, 卷号: 288 作者:  Xiao, Dezhi;  Bao, De-Liang;  Liang, Xiongyi;  Wang, Ying;  Shen, Jie   |  收藏  |  浏览/下载：50/0  |  提交时间：2021/04/26 Plasma functionalization  Oxygen doping  Ion energy and flux  Molecular dynamics calculation  Hydrogen evolution reaction   Atomistic Insights into Interfacial Reactions of FeCr2O4 Oxide Films in High-Temperature Water 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, 2020, 卷号: 15, 期号: 9, 页码: 8662-8673 作者:  Wang, Haitao;  Ding, Jiawei;  Zhang, Ruifeng;  Han, En-Hou   |  收藏  |  浏览/下载：20/0  |  提交时间：2021/02/02 Oxide film  High-temperature water  Interfacial reaction  Ab initio molecular dynamics   Atomistic Insights into Interfacial Reactions of FeCr2O4 Oxide Films in High-Temperature Water 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, 2020, 卷号: 15, 期号: 9, 页码: 8662-8673 作者:  Wang, Haitao;  Ding, Jiawei;  Zhang, Ruifeng;  Han, En-Hou   |  收藏  |  浏览/下载：20/0  |  提交时间：2021/02/02 Oxide film  High-temperature water  Interfacial reaction  Ab initio molecular dynamics   Progress of quantum molecular dynamics model and its applications in heavy ion collisions 期刊论文  OAI收割 FRONTIERS OF PHYSICS, 2020, 卷号: 15, 期号: 5, 页码: 64 作者:  Zhang, Ying-Xun;  Wang, Ning;  Li, Qing-Feng;  Ou, Li;  Tian, Jun-Long   |  收藏  |  浏览/下载：97/0  |  提交时间：2022/01/18 quantum molecular dynamics model  low energy heavy ion collisions  low-intermediate energy heavy ion collisions  fusion  multinucleon transfer reaction  multifragmentation  collective flow  isospin asymmetric equation of state  in-medium nucleon-nucleon cross sections