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• 过程工程研究所 [120]

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• OAI收割 [120]

内容类型

• 期刊论文 [88]
• 学位论文 [30]
• 会议论文 [2]

发表日期

• 2023 [4]
• 2022 [8]
• 2021 [10]
• 2020 [8]
• 2019 [8]
• 2018 [8]
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学科主题

• Molecular ... [2]
• Coal [1]
• Condensati... [1]
• Ionic Liqu... [1]
• Thermolysi... [1]

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浏览/检索结果: 共120条，第1-10条 帮助 限定条件 专题：过程工程研究所    第一署名单位    第一作者单位    通讯作者单位     条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 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   Pyrolytic stage evolution mechanism of Zhundong coal based on reaction consistency analysis of mono/multi molecular models 期刊论文  OAI收割 FUEL, 2023, 卷号: 333, 页码: 17 作者:  Xin, Haihui;  Zhou, Banghao;  Tian, Wenjiang;  Qi, Xu-yao;  Zheng, Mo   |  收藏  |  浏览/下载：20/0  |  提交时间：2023/02/24 Coal pyrolysis  ReaxFF  Coal fire  Reaction pathway   Revisiting the structure, interaction, and dynamical property of ionic liquid from the deep learning force field 期刊论文  OAI收割 JOURNAL OF POWER SOURCES, 2023, 卷号: 555, 页码: 8 作者:  Ling, Yulong;  Li, Kun;  Wang, Mi;  Lu, Junfeng;  Wang, Chenlu   |  收藏  |  浏览/下载：19/0  |  提交时间：2023/02/24 Ionic liquids  Molecular dynamics simulations  Force field  Hydrogen bond  Machine learning   Co-pyrolysis behaviors of coal and polyethylene by combining in-situ Py-TOF-MS and reactive molecular dynamics 期刊论文  OAI收割 FUEL, 2023, 卷号: 331, 页码: 14 作者:  Feng, Wei;  Zheng, Mo;  Jin, Lijun   |  收藏  |  浏览/下载：15/0  |  提交时间：2023/02/24 Low-rank coal  Polyethylene  Co-pyrolysis  ReaxFF MD  Py-TOF-MS   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   |  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   Investigation of N Transfer during Coal Char Oxidation by Reactive Molecular Dynamics 期刊论文  OAI收割 ENERGY & FUELS, 2022, 页码: 11 作者:  Zheng, Mo;  Li, Xiaoxia   |  收藏  |  浏览/下载：13/0  |  提交时间：2023/02/24 Purification of MDI Isomers Using Dynamic Falling Film Melt Crystallization: Experiment and Molecular Simulation 期刊论文  OAI收割 ACS OMEGA, 2022, 卷号: 7, 期号: 25, 页码: 21492-21504 作者:  Lian, Xueying;  He, Peng;  Wang, Liguo;  Cao, Yan;  Huang, Kelin   |  收藏  |  浏览/下载：13/0  |  提交时间：2023/02/24 Revealing reaction compromise in competition for volatile radicals during coal pryolysis via ReaxFF MD simulation 期刊论文  OAI收割 Huagong Xuebao/CIESC Journal, 2022, 卷号: 73, 期号: 6, 页码: 2732-2741 作者:  Zheng, Mo;  Li, Xiaoxia   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/06/26 Bituminous coal - Condensation - Pyrolysis - Stabilization - Tar - Temperature   Exploring dielectric spectra of polymer through molecular dynamics simulations 期刊论文  OAI收割 MOLECULAR SIMULATION, 2022, 页码: 9 作者:  Yang, Xue-Dan;  Chen, Wei;  Ren, Ying;  Chu, Liang-Yin   |  收藏  |  浏览/下载：12/0  |  提交时间：2023/02/24 Molecular dynamics simulations  dielectric spectra  poly(N-isopropylacrylamide)   Overall mechanism of JP-10 pyrolysis unraveled by large-scale reactive molecular dynamics simulation 期刊论文  OAI收割 COMBUSTION AND FLAME, 2022, 卷号: 237, 页码: 12 作者:  Liu, Han;  Liang, Jinhu;  He, Ruining;  Li, Xiaoxia;  Zheng, Mo   |  收藏  |  浏览/下载：30/0  |  提交时间：2022/06/15 JP-10  ReaxFF MD  Shock tube  Pyrolysis mechanism