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Molecular Model of Xishan Bituminous Coal Surface and Its Wetting Properties 期刊论文
ENERGY & FUELS, 2017, 卷号: 31, 期号: 9, 页码: 9094-9100
Authors:  Zhang, Zhiqiang;  Kang, Qiannan;  Wei, Shuai;  Yun, Tao;  Yan, Guochao;  Yan, Kefeng
Favorite  |  View/Download：218/0  |  Submit date：2017/11/24
Large Scale Molecular Model Construction of Xishan Bituminous Coal 期刊论文
ENERGY & FUELS, 2017, 卷号: 31, 期号: 2, 页码: 1310-1317
Authors:  Zhang, Zhiqiang;  Kang, Qiannan;  Wei, Shuai;  Yun, Tao;  Yan, Guochao;  Yan, Kefeng
Favorite  |  View/Download：176/0  |  Submit date：2017/10/13
Density Functional Theory Investigation of Possible Structures of Radicals in Coal Undergoing O-2 Chemisorption at Ambient Temperature 期刊论文
ENERGY & FUELS, 2017, 卷号: 31, 期号: 1, 页码: 953-958
Authors:  Zhang, Zhiqiang;  Kang, Qiannan;  Yun, Tao;  Yan, Kefeng
Favorite  |  View/Download：203/0  |  Submit date：2017/10/13
Molecular Dynamics Simulation of the Crystal Nucleation and Growth Behavior of Methane Hydrate in the Presence of the Surface and Nanopores of Porous Sediment 期刊论文
LANGMUIR, 2016, 卷号: 32, 期号: 31, 页码: 7975-7984
Authors:  Yan, Ke-Feng;  Li, Xiao-Sen;  Chen, Zhao-Yang;  Xia, Zhi-Ming;  Xu, Chun-Gang;  Zhang, Zhiqiang
Favorite  |  View/Download：268/0  |  Submit date：2016/12/05
Adsorption of collectors on model surface of Wiser bituminous coal: A molecular dynamics simulation study 期刊论文
MINERALS ENGINEERING, 2015, 卷号: 79, 页码: 31-39
Authors:  Zhang, Zhiqiang;  Wang, Caili;  Yan, Kefeng
Favorite  |  View/Download：168/0  |  Submit date：2016/10/27
Collector  Wiser Bituminous Coal  Molecular Dynamics  Interaction  Hydrophobicity  
Quantum chemical investigation of the primary thermal pyrolysis reactions of the sodium carboxylate group in a brown coal model 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 12
Authors:  Li, Jian;  Zhang, Baisheng;  Zhang, Zhiqiang;  Yan, Kefeng;  Kang, Lixun
Favorite  |  View/Download：150/0  |  Submit date：2016/11/01
Sodium Carboxylate Group  Pyrolysis  Quantum Chemistry  Brown Coal  
ReaxFF molecular dynamics simulations of the initial pyrolysis mechanism of unsaturated triglyceride 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 3
Authors:  Zhang, Zhiqiang;  Yan, Kefeng;  Zhang, Jilong
Favorite  |  View/Download：253/0  |  Submit date：2016/10/28
Mechanism  Molecular Dynamics  Pyrolysis  Unsaturated Triglyceride  
Reactive molecular dynamics simulations of the initial stage of brown coal oxidation at high temperatures 期刊论文
MOLECULAR PHYSICS, 2013, 卷号: 111, 期号: 1, 页码: 147-156
Authors:  Yan, Guochao;  Zhang, Zhiqiang;  Yan, Kefeng
Favorite  |  View/Download：158/0  |  Submit date：2016/10/26
Brown Coal  Oxidation  Reactive Molecular Dynamics  
ReaxFF molecular dynamics simulations of non-catalytic pyrolysis of triglyceride at high temperatures 期刊论文
RSC ADVANCES, 2013, 卷号: 3, 期号: 18, 页码: 6401-6407
Authors:  Zhang, Zhiqiang;  Yan, Kefeng;  Zhang, Jilong
Favorite  |  View/Download：140/0  |  Submit date：2016/10/25
Molecular dynamics simulation of oxygen diffusion in dry and water-containing brown coal 期刊论文
MOLECULAR PHYSICS, 2011, 卷号: 109, 期号: 19, 页码: 2367-2374
Authors:  Zhang, Zhiqiang;  Yan, Kefeng
Favorite  |  View/Download：112/0  |  Submit date：2016/10/27
Molecular Dynamics  Brown Coal  Moisture Content  Diffusion