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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
作者:  Zhang, Zhiqiang;  Kang, Qiannan;  Wei, Shuai;  Yun, Tao;  Yan, Guochao;  Yan, Kefeng
收藏  |  浏览/下载：190/0  |  提交时间：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
作者:  Zhang, Zhiqiang;  Kang, Qiannan;  Wei, Shuai;  Yun, Tao;  Yan, Guochao;  Yan, Kefeng
收藏  |  浏览/下载：150/0  |  提交时间：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
作者:  Zhang, Zhiqiang;  Kang, Qiannan;  Yun, Tao;  Yan, Kefeng
收藏  |  浏览/下载：174/0  |  提交时间：2017/10/13
Hydrate-based hydrogen purification from simulated syngas with synergic additives 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2016, 卷号: 41, 期号: 4, 页码: 2649-2659
作者:  Xia, Zhiming;  Li, Xiaosen;  Chen, Zhaoyang;  Yan, Kefeng;  Xu, Chungang;  Cai, Jing
收藏  |  浏览/下载：173/0  |  提交时间：2016/12/05
Syngas  Purification  Synergic Additive  Gas Hydrate  Hydrogen  
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
作者:  Zhang, Zhiqiang;  Wang, Caili;  Yan, Kefeng
收藏  |  浏览/下载：140/0  |  提交时间：2016/10/27
Collector  Wiser Bituminous Coal  Molecular Dynamics  Interaction  Hydrophobicity  
Raman Spectroscopic Analysis on the Hydrate Formed in the Hydrate-Based Flue Gas Separation Process in Presence of Sulfur Dioxide and Tetra-n-butyl Ammonium Bromide 期刊论文
SPECTROSCOPY LETTERS, 2015, 卷号: 48, 期号: 7, 页码: 499-505
作者:  Chen, Chao;  Li, Xiaosen;  Chen, Zhaoyang;  Yan, Kefeng;  Zhang, Yu;  Xu, Chungang
收藏  |  浏览/下载：198/0  |  提交时间：2016/11/03
Carbon Dioxide  Hydrate Crystallization Technology  Raman Spectroscopic Analysis  Sulfur Dioxide  Tetra-n-butyl Ammonium Bromide  
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
作者:  Li, Jian;  Zhang, Baisheng;  Zhang, Zhiqiang;  Yan, Kefeng;  Kang, Lixun
收藏  |  浏览/下载：124/0  |  提交时间：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
作者:  Zhang, Zhiqiang;  Yan, Kefeng;  Zhang, Jilong
收藏  |  浏览/下载：137/0  |  提交时间：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
作者:  Yan, Guochao;  Zhang, Zhiqiang;  Yan, Kefeng
收藏  |  浏览/下载：136/0  |  提交时间：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
作者:  Zhang, Zhiqiang;  Yan, Kefeng;  Zhang, Jilong
收藏  |  浏览/下载：107/0  |  提交时间：2016/10/25