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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  
Multiscale structures in particle-fluid systems: Characterization, modeling, and simulation 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2019, 卷号: 198, 页码: 198-223
Authors:  Ge, Wei;  Chang, Qi;  Li, Chengxiang;  Wang, Junwu
Favorite  |  View/Download:86/0  |  Submit date:2019/04/03
Multiscale structures  Mesoscale structures  Structure heterogeneity  Fluidization  Multiphase flow  
Shape-Dependent Aggregation of Silver Particles by Molecular Dynamics Simulation 期刊论文
CRYSTALS, 2018, 卷号: 8, 期号: 11
Authors:  Wang, X;  Hou, CF;  Li, CX;  Han, YS;  Wang, Xue;  Hou, Chaofeng;  Li, Chengxiang;  Han, Yongsheng
Favorite  |  View/Download:22/0  |  Submit date:2018/12/29
silver nanoparticle  ORIENTED-ATTACHMENT GROWTH  aggregation process  CRYSTAL-GROWTH  facet area  NANOPARTICLES  surface energy  AG  collision frequency  KINETICS  ENERGY  MODEL  
Simulation Study on the Reaction-Diffusion Coupling in Simple Pore Structures 期刊论文
LANGMUIR, 2017, 卷号: 33, 期号: 42, 页码: 11804-11816
Authors:  Li, Yanping;  Zhao, Mingcan;  Li, Chengxiang;  Ge, Wei
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Simulation of the effect of coke deposition on the diffusion of methane in zeolite ZSM-5 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2017, 卷号: 320, 页码: 458-467
Authors:  Li, Yanping;  Zhang, Chenglong;  Li, Chengxiang;  Liu, Zhicheng;  Ge, Wei
Adobe PDF(3543Kb)  |  Favorite  |  View/Download:87/0  |  Submit date:2017/07/10
Coke Deposition  Diffusion  Molecular Simulation  Zeolite Zsm-5  Pseudo-particle Modeling  
Hard-sphere/pseudo-particle modelling (HS-PPM) for efficient and scalable molecular simulation of dilute gaseous flow and transport 期刊论文
MOLECULAR SIMULATION, 2016, 卷号: 42, 期号: 14, 页码: 1171-1182
Authors:  Zhang, Chenglong;  Shen, Guofei;  Li, Chengxiang;  Ge, Wei;  Li, Jinghai
Adobe PDF(3990Kb)  |  Favorite  |  View/Download:82/0  |  Submit date:2016/09/05
Dilute Gas  Hard-sphere  High Knudsen Number  Micro Chemical Engineering  Micro-flow  Molecular Dynamics Simulation  Pseudo-particle Modelling  
Reversibly Switching Silver Hierarchical Structures via Reaction Kinetics 期刊论文
SCIENTIFIC REPORTS, 2015, 卷号: 5, 期号: OCT, 页码: 14942
Authors:  Liu, Jianmei;  Yang, Tao;  Li, Chengxiang;  Dai, Jinhui;  Han, Yongsheng
Adobe PDF(1479Kb)  |  Favorite  |  View/Download:90/0  |  Submit date:2015/11/16
Regulating silver morphology via electrochemical reaction 期刊论文
CRYSTENGCOMM, 2015, 卷号: 17, 期号: 31, 页码: 6014-6022
Authors:  Liu, Wei;  Yang, Tao;  Li, Chengxiang;  Che, Ping;  Han, Yongsheng
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MULTI-SCALE SIMULATION OF GRAIN BOUNDARY STRUCTURE EFFECTS IN POLY-Si THIN FILM SOLAR CELL 期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2013, 卷号: 24, 期号: 7, 页码: 1350045
Authors:  Li, Chengxiang;  Huang, Wenlai;  Hou, Chaofeng;  Ge, Wei
Adobe PDF(1647Kb)  |  Favorite  |  View/Download:52/0  |  Submit date:2015/05/05
Solar Cell  Grain Boundary  Photovoltaic Conversion  Multi-scale Simulation  
Atomic and electronic structures of Si[001] (130) symmetric tilt grain boundaries based on first-principles calculations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2012, 卷号: 58, 期号: 0, 页码: 38-44
Authors:  Huang, Wen Lai;  Ge, Wei;  Li, Chengxiang;  Hou, Chaofeng;  Wang, Xiaowei;  He, Xianfeng;  Huang, WL
Adobe PDF(2110Kb)  |  Favorite  |  View/Download:138/1  |  Submit date:2013/10/22
Density Functional Theory  Electronic Structure  Polycrystalline Silicon  Grain Boundary  Potential Barrier