煤分子结构对煤层气吸附与扩散行为的影响OA北大核心CSCDCSTPCD
Effects of coal molecular structure on adsorption and diffusion behaviors of coalbed methane
对煤的芳香单元延展度、芳香单元堆砌层数以及包括不同缺陷和含氧官能团类型的表面结构对煤层气吸附与扩散的影响进行了研究。采用Monte Carlo模拟方法及分子动力学模拟方法分别得到了煤层气的吸附量与扩散系数，模拟温度为303 K，压力为10 MPa。研究结果表明，单位质量的煤对甲烷的吸附量随着芳香单元堆砌层数的增加而降低，缺陷和含氧官能团的存在不利于甲烷的吸附。甲烷的扩散随着芳香单元延展度的增加呈现出一个N形的复杂变化过程，单缺陷和羰基的存在有利于…查看全部>>
The effects of microcrystal structures, such as the extension of basic structural unit (La) and the number of basic structural unit (N), as well as the surface structures including different types of defects and oxygen-containing functional groups, on the adsorption and diffusion of coalbed methane were investigated. The adsorption amounts were simulated by using the Monte Carlo (MC) method, and the diffusion coefficients of coalbed methane were simulated by…查看全部>>
王宝俊;章丽娜;凌丽霞;章日光
太原理工大学煤科学与技术教育部和山西省重点实验室，山西太原 030024太原理工大学煤科学与技术教育部和山西省重点实验室，山西太原 030024太原理工大学化学化工学院，山西太原 030024太原理工大学煤科学与技术教育部和山西省重点实验室，山西太原 030024
化学化工
煤分子结构煤层甲烷吸附扩散分子模拟
coal molecular structurecoalbed methaneadsorptiondiffusionmolecular simulation
《化工学报》 2016 (6)
CO氧化偶联制草酸二甲酯Pd催化剂的结构调变与活性调控
2548-2557,10
国家科技重大专项项目（2011ZX05040-005-002-001）；国家自然科学基金项目（21276171，21576178，21276003）；山西省青年学术带头人项目。@@@@supported by the Major Projects of National Science and Technology (2011ZX05040-005-002-001), the National Natural Science Foundation of China (21276171,21576178,21276003) and the Program for the Innovative Talents of Higher Learning Institutions of Shanxi
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