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Dynamic profiles of tar products during Naomaohu coal pyrolysis revealed by large-scale reactive molecular dynamic simulation 期刊论文
FUEL, 2019, 卷号: 253, 页码: 910-920
Authors:  Zheng, Mo;  Li, Xiaoxia;  Wang, Meijun;  Guo, Li
Favorite  |  View/Download:8/0  |  Submit date:2019/09/03
Low-rank coal pyrolysis  Tar products  ReaxFF MD simulation  Dynamic profile  Detailed structure  
Comparison of RP-3 Pyrolysis Reactions between Surrogates and 45-Component Model by ReaxFF Molecular Dynamics Simulations 期刊论文
ENERGY & FUELS, 2019, 卷号: 33, 期号: 8, 页码: 7176-7187
Authors:  Zhao, Pei;  Han, Song;  Li, Xiaoxia;  Zhu, Tong;  Tao, Xiaofang;  Guo, Li
Favorite  |  View/Download:1/0  |  Submit date:2019/10/18
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:4/0  |  Submit date:2019/09/03
Oil shale  kerogen  molecular dynamics simulation  ReaxFF  steam pyrolysis  
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:42/0  |  Submit date:2019/06/14
Investigation of N behavior during coal pyrolysis and oxidation using ReaxFF molecular dynamics 期刊论文
FUEL, 2018, 卷号: 233, 页码: 867-876
Authors:  Zheng, Mo;  Li, Xiaoxia;  Guo, Li
Adobe PDF(2529Kb)  |  Favorite  |  View/Download:73/0  |  Submit date:2018/10/11
Reaxff Molecular Dynamics  Coal Pyrolysis  Coal Oxidation  Nox Emission  Nitrogen Transformation  Reaction Mechanisms  
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
Adobe PDF(3167Kb)  |  Favorite  |  View/Download:81/0  |  Submit date:2018/10/11
Reaxff Molecular Dynamics  Coal Pyrolysis  Fugu Coal  Reaction Mechanism  Pyrolyzate Yield Prediction  Elevated Temperature Effect  
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:30/0  |  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  
Discrete simulation of granular and particle-fluid flows: from fundamental study to engineering application 期刊论文
REVIEWS IN CHEMICAL ENGINEERING, 2017, 卷号: 33, 期号: 6, 页码: 551-623
Authors:  Ge, Wei;  Wang, Limin;  Xu, Ji;  Chen, Feiguo;  Zhou, Guangzheng;  Lu, Liqiang;  Chang, Qi;  Li, Jinghai
Adobe PDF(14103Kb)  |  Favorite  |  View/Download:113/1  |  Submit date:2018/01/19
Coarse-graining  Discrete Element Method (Dem)  Discrete Particle Method (Dpm)  Energy-minimization Multiscale (Emms) Model  Fluid-solid Interaction  Granular Flow  Heterogeneous Computing  High-performance Computing (Hpc)  Mesoscale  Multiphase Flow  Multiscale  Nonspherical Particle  Particle-fluid Flow  Particle-in-cell (Pic)  Pseudo-particle Modeling (Ppm)  Smoothed Particle Hydrodynamics (Sph)  Supercomputing Virtual Process Engineering (Vpe)  
A model for improving the Euler-Euler two-phase flow theory to predict chemical reactions in circulating fluidized beds 期刊论文
POWDER TECHNOLOGY, 2017, 卷号: 321, 期号: NOV, 页码: 13-30
Authors:  Hou, Baolin;  Wang, Xiaodong;  Zhang, Tao;  Li, Hongzhong
Adobe PDF(2902Kb)  |  Favorite  |  View/Download:73/0  |  Submit date:2017/11/27
Computational Fluid Dynamics  Reaction  Momentum Transfer  Mass Transfer  
A mimotope of A beta oligomers may also behave as a beta-sheet inhibitor 期刊论文
FEBS LETTERS, 2017, 卷号: 591, 期号: 21, 页码: 3615-3624
Authors:  Zhang, Yang-xin;  Wang, Shao-wei;  Lu, Shuai;  Zhang, Ling-xiao;  Liu, Dong-qun;  Ji, Mei;  Wang, Wei-yun;  Liu, Rui-tian
Adobe PDF(709Kb)  |  Favorite  |  View/Download:79/0  |  Submit date:2017/12/20
Aggregation  Beta-amyloid Oligomer  Mimotope  Peptide  Vaccine