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Construction of a Multicomponent Molecular Model of Fugu Coal for ReaxFF-MD Pyrolysis Simulation 期刊论文
ENERGY & FUELS, 2019, 卷号: 33, 期号: 4, 页码: 2848-2858
Authors:  Gao, Mingjie;  Li, Xiaoxia;  Ren, Chunxing;  Wang, Ze;  Pan, Yang;  Guo, Li
Favorite  |  View/Download:32/0  |  Submit date:2019/06/14
Atomic Co/Ni dual sites and Co/Ni alloy nanoparticles in N-doped porous Janus-like carbon frameworks for bifunctional oxygen electrocatalysis 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 240, 页码: 112-121
Authors:  Li, Zehui;  He, Hongyan;  Cao, Hongbin;  Sun, Shaoming;  Diao, Wenlin;  Gao, Denglei;  Lu, Peilong;  Zhang, Shuangshuang;  Guo, Zhuang;  Li, Mingjie;  Liu, Rongji;  Ren, Dunhao;  Liu, Chenming;  Zhang, Yi;  Yang, Zheng;  Jiang, Jingkun;  Zhang, Guangjin
Favorite  |  View/Download:34/0  |  Submit date:2019/06/14
Atomic  Dual sites  Electrocatalysts  Oxygen reduction reaction  Oxygen evolution reaction  
Pyrolysis simulations of Fugu coal by large-scale ReaxFF molecular dynamics 期刊论文
FUEL PROCESSING TECHNOLOGY, 2018, 卷号: 178, 页码: 197-205
Authors:  Gao, Mingjie;  Li, Xiaoxia;  Guo, Li
Favorite  |  View/Download:65/0  |  Submit date:2018/10/11
ReaxFF molecular dynamics  Coal pyrolysis  Fugu coal  Reaction mechanism  Pyrolyzate yield prediction  Elevated temperature effect  
大规模反应分子动力学模拟新进展 会议论文
中国化学会第14届全国计算(机)化学学术会议暨分子模拟国际论坛会议手册, 中国江苏南京, 2017-11-17
Authors:  李晓霞;  郑默;  张婷婷;  韩嵩;  高明杰;  任春醒;  郭力
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Reaxff Md  热解与氧化  反应机理  大规模分子模拟  
Carbon materials derived from chitosan/cellulose cryogel-supported zeolite imidazole frameworks for potential supercapacitor application 期刊论文
CARBOHYDRATE POLYMERS, 2017, 卷号: 175, 期号: NOV, 页码: 223-230
Authors:  Li, Zehui;  Yang, Lan;  Cao, Hongbin;  Chang, Yu;  Tang, Kexin;  Cao, Zhiqin;  Chang, Junjun;  Cao, Youpeng;  Wang, Wenbo;  Gao, Meng;  Liu, Chenming;  Liu, Dagang;  Zhao, He;  Zhang, Yi;  Li, Mingjie
Adobe PDF(3220Kb)  |  Favorite  |  View/Download:88/0  |  Submit date:2017/11/27
Chitosan  Cellulose  Carbon Cryogel  Zeolite Imidazole Frameworks  Supercapacitor  
ReaxFF MD模拟的物种和化学反应自动分类及可视化 期刊论文
计算机与应用化学, 2015, 期号: 5, 页码: 519-526
Authors:  韩君易;  李晓霞;  郭力;  郑默;  乔显杰;  刘晓龙;  高明杰;  张婷婷;  韩嵩
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对甲基苯酚高温热解的ReaxFF-MD模拟 会议论文
中国化学会第29届学术年会摘要集——第41分会:燃料与燃烧化学, 中国北京, 2014-08-04
Authors:  高明杰;  李晓霞;  郭力
Adobe PDF(105Kb)  |  Favorite  |  View/Download:119/0  |  Submit date:2015/05/13
Reaxff Md  对甲基苯酚  热解机理  分子模拟  
微细粒煤柱浮选过程流体动力学模拟 学位论文
: 中国科学院研究生院, 2013
Authors:  高明杰
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微细粒煤    浮选    数值模拟    计算流体力学    旋流-静态微泡浮选柱  
煤焦油加氢裂化集总动力学模型的研究 期刊论文
计算机与应用化学, 2012, 期号: 04, 页码: 387-390
Authors:  代飞;  高明杰;  李春山;  项曙光
Adobe PDF(730Kb)  |  Favorite  |  View/Download:53/0  |  Submit date:2014/08/27
煤焦油  加氢裂化  集总  动力学  
Detailed Description of Coal Tar Hydrogenation Process Using the Kinetic Lumping Approach 期刊论文
ENERGY & FUELS, 2011, 卷号: 25, 期号: 11, 页码: 4878-4885
Authors:  Dai, Fei;  Gao, Mingjie;  Li, Chunshan;  Xiang, Shuguang;  Zhang, Suojiang
Adobe PDF(1202Kb)  |  Favorite  |  View/Download:120/0  |  Submit date:2013/11/28
Heavy Oil  Hydrocracking  Model  Liquefaction  Pyrolysis  Catalyst  Residue  Gasoline