Yu Wu, Chang Guo, Rongshan Nie, Xiangliang Zhang, Yuxin Ye, Xiaoyu Liang
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Molecular model construction of bituminous coal and its oxygen adsorption characteristics under different moisture conditions
To investigate the oxygen adsorption characteristics of coal with different moisture contents, a molecular model of bituminous coal from Datong coalfield was constructed based on 13C-NMR and XPS an...
期刊介绍：
Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation.
Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics.
The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged.
Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.
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