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不同水分条件下烟煤分子模型的构建及其氧气吸附特性

IF 1.9 4区 化学 Q4 CHEMISTRY, PHYSICAL
Molecular Simulation Pub Date : 2024-09-04 DOI:10.1080/08927022.2024.2397466
Yu Wu, Chang Guo, Rongshan Nie, Xiangliang Zhang, Yuxin Ye, Xiaoyu Liang
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引用次数: 0

摘要

为研究不同水分含量煤炭的吸附氧特性，基于13C-NMR和XPS构建了大同煤田烟煤的分子模型。
本文章由计算机程序翻译，如有差异，请以英文原文为准。
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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...
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来源期刊
Molecular Simulation
Molecular Simulation 化学-物理：原子、分子和化学物理
CiteScore
3.80
自引率
9.50%
发文量
128
审稿时长
3.1 months
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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