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Atomic insights into the thermal runaway process of hydrogen peroxide and 1,3,5-trimethybenzene mixture: Combining ReaxFF MD and DFT methods 期刊论文
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, 2021, 卷号: 147, 页码: 578-588
Authors:  Qian, Yanan;  Xu, Wei;  Zhan, Jin-Hui;  Jia, Xuewu;  Zhang, Fan
Adobe PDF(3203Kb)  |  Favorite  |  View/Download:14/0  |  Submit date:2021/08/31
Hydrogen Peroxide  Organics  Reaxff Md  Dft Calculation  Thermal Runaway  
不同种类木质素热解的反应分子动力学模拟 学位论文
博士: 中国科学院大学, 2020
Authors:  张婷婷
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反应分子动力学,木质素模型,热解,同步辐射真空紫外光电离质谱分析实验,反应机理  
Comparing product distribution and desulfurization during direct pyrolysis and hydropyrolysis of Longkou oil shale kerogen using reactive MD simulations 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2019, 卷号: 44, 期号: 47, 页码: 25335-25346
Authors:  Zhang, Zhijun;  Guo, Liting;  Zhang, Hanyu;  Zhan, Jin-Hui
Favorite  |  View/Download:69/0  |  Submit date:2019/12/02
Oil shale kerogen  Hydropyrolysis  Desulfurization  ReaxFF molecular dynamics  
油页岩热解油气分级冷凝除尘及组分分离研究 学位论文
: 中国科学院大学, 2019
Authors:  张华
Adobe PDF(6142Kb)  |  Favorite  |  View/Download:42/0  |  Submit date:2020/06/17
油页岩,分级冷凝,异相冷凝,冷凝温度,除尘  
红外快速加热与反应分级调控煤热解制油气研究 学位论文
: 中国科学院大学, 2019
Authors:  许世佩
Adobe PDF(7727Kb)  |  Favorite  |  View/Download:38/0  |  Submit date:2020/06/17
低阶煤,快速热解,红外加热,二次反应,分级调控  
Structural model of Longkou oil shale kerogen and the evolution process under steam pyrolysis based on ReaxFF molecular dynamics simulation 期刊论文
ENERGY SOURCES PART A-RECOVERY UTILIZATION AND ENVIRONMENTAL EFFECTS, 2019, 页码: 14
Authors:  Zhang, Zhijun;  Chai, Jun;  Zhang, Hanyu;  Guo, Liting;  Zhan, Jin-Hui
Favorite  |  View/Download:88/0  |  Submit date:2019/09/03
Oil shale  kerogen  molecular dynamics simulation  ReaxFF  steam pyrolysis  
外热式内构件固定床/移动床煤热解反应器的数值模拟 学位论文
博士: 中国科学院研究生院, 2018
Authors:  钱亚男
Adobe PDF(9861Kb)  |  Favorite  |  View/Download:98/1  |  Submit date:2019/03/29
煤热解,反应分子动力学(reaxff Md),Cfd模拟,内构件,固定床/移动床  
Simulation of fine polydisperse particle condensational growth under an octadecane-nitrogen atmosphere 期刊论文
PARTICUOLOGY, 2018, 卷号: 38, 页码: 71-79
Authors:  Zhang, Hua;  Wang, Ze;  Song, Wenli;  Li, Songgeng
Adobe PDF(2430Kb)  |  Favorite  |  View/Download:192/0  |  Submit date:2018/06/11
Simulation  Condensational Growth  Polydisperse Particles  Particle Size Distribution  
Characteristics of oil shale pyrolysis in a two-stage fluidized bed 期刊论文
CHINESE JOURNAL OF CHEMICAL ENGINEERING, 2018, 卷号: 26, 期号: 2, 页码: 407-414
Authors:  Tian, Yong;  Li, Mengya;  Lai, Dengguo;  Chen, Zhaohui;  Gao, Shiqiu;  Xu, Guangwen
Adobe PDF(1883Kb)  |  Favorite  |  View/Download:108/0  |  Submit date:2018/06/11
Oil Shale  Pyrolysis  Fluidized-bed  Upgrading  Secondary Cracking  Reactors  
Practices for modeling oil shale pyrolysis and kinetics 期刊论文
REVIEWS IN CHEMICAL ENGINEERING, 2018, 卷号: 34, 期号: 1, 页码: 21-42
Authors:  Raja, Muhammad Afzal;  Zhao, Yongsheng;  Zhang, Xiangping;  Li, Chunshan;  Zhang, Suojiang
Adobe PDF(2199Kb)  |  Favorite  |  View/Download:168/0  |  Submit date:2018/01/19
Isoconversion Methods  Kinetic Models  Oil Shale  Pyrolysis  Thermal Analysis