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Concentration fluctuation due to reaction-diffusion coupling near an isolated active site on catalyst surfaces 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2019, 卷号: 373, 页码: 744-754
Authors:  Li, Yanping;  Zhao, Mingcan;  Li, Chengxiang;  Ge, Wei
Favorite  |  View/Download:2/0  |  Submit date:2019/09/03
Molecular dynamics simulation  Reaction-diffusion coupling  Isolated active sites  Concentration fluctuation  Hard sphere model  
Unveiling of the energy storage mechanisms of multi -modified (Nb2O5@C)/rGO nanoarrays as anode for high voltage supercapacitors with formulated ionic liquid electrolytes 期刊论文
ELECTROCHIMICA ACTA, 2019, 卷号: 313, 页码: 532-543
Authors:  Zhang, Jiahe;  Zhang, Haitao;  Zhang, Yaqin;  Zhang, Junwei;  He, Hongyan;  Zhang, Xixiang;  Shim, Jae-Jin;  Zhang, Suojiang
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Nanohybrid electrode  Ionic liquid  Asymmetric supercapacitor  Storage mechanism  
Mesoscience-based virtual process engineering 期刊论文
COMPUTERS & CHEMICAL ENGINEERING, 2019, 卷号: 126, 页码: 68-82
Authors:  Ge, Wei;  Guo, Li;  Liu, Xinhua;  Meng, Fanyong;  Xu, Ji;  Huang, Wen Lai;  Li, Jinghai
Favorite  |  View/Download:3/0  |  Submit date:2019/09/03
Coarse-graining  Mesoscale  Mesoscience  Stability condition  Virtual process engineering  Virtual reality  
Solid residence time distribution in a cross-flow dense fluidized bed with baffles 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2019, 卷号: 200, 页码: 320-335
Authors:  Hua, Leina;  Zhao, Hu;  Li, Jun;  Zhu, Qingshan;  Wang, Junwu
Favorite  |  View/Download:43/0  |  Submit date:2019/06/14
Cross-flow dense fluidized bed  Baffle  Non-spherical particle  Solid residence time distribution  Solid dispersion coefficient  Eulerian-Eulerian model  
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:2/0  |  Submit date:2019/09/03
Oil shale  kerogen  molecular dynamics simulation  ReaxFF  steam pyrolysis  
Molecular dynamics simulations of surfactant adsorption at oil/water interface under shear flow 会议论文
PARTICUOLOGY, Beijing, PEOPLES R CHINA, OCT 15-18, 2017
Authors:  Ren, Ying;  Zhang, Qiang;  Yang, Ning;  Xu, Ji;  Liu, Jialin;  Yang, Ruixin;  Kunkelmann, Christian;  Schreiner, Eduard;  Holtze, Christian;  Muelheims, Kerstin;  Sachweh, Bernd
Favorite  |  View/Download:44/0  |  Submit date:2019/06/21
Surfactant adsorption  Molecular dynamics simulation  Mesoscale modeling  Shear flow  
Separation Efficiency of CO2 in Ionic Liquids/Poly(vinylidene fluoride) Composite Membrane: A Molecular Dynamics Study 期刊论文
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2019, 卷号: 58, 期号: 16, 页码: 6887-6898
Authors:  Song, Tao;  Zhang, Xiaochun;  Li, Yonggang;  Jiang, Kun;  Zhang, Suojiang;  Cui, Xiangmei;  Bai, Lu
Favorite  |  View/Download:56/0  |  Submit date:2019/06/14
Understanding the Antifouling Mechanism of Zwitterionic Monomer-Grafted Polyvinylidene Difluoride Membranes: A Comparative Experimental and Molecular Dynamics Simulation Study 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2019, 卷号: 11, 期号: 15, 页码: 14408-14417
Authors:  Liu, Zi-Yu;  Jiang, Qin;  Jin, Zhiqiang;  Sun, Zhenyu;  Ma, Wangjing;  Wang, Yanlei
Favorite  |  View/Download:38/0  |  Submit date:2019/06/14
zwitterionic membrane  antifouling mechanism  alginates  molecular dynamics simulation  electrolyte  electrostatic repulsion  
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:41/0  |  Submit date:2019/06/14
The nature of salt effect in enhancing the extraction of rare earths by non-functional ionic liquids: Synergism of salt anion complexation and Hofmeister bias 期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2019, 卷号: 539, 页码: 214-222
Authors:  Sun, Pan;  Huang, Kun;  Liu, Huizhou
Favorite  |  View/Download:42/0  |  Submit date:2019/04/03
Ionic liquids  Salt effect  Salt anion complexation  Solvent extraction  Rare earths