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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:139/0  |  Submit date:2016/11/01
Sodium Carboxylate Group  Pyrolysis  Quantum Chemistry  Brown Coal  
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:149/0  |  Submit date:2016/10/26
Brown Coal  Oxidation  Reactive Molecular Dynamics  
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:104/0  |  Submit date:2016/10/27
Molecular Dynamics  Brown Coal  Moisture Content  Diffusion