基于蒙特卡洛方法的无烟煤中甲烷分子吸附量模拟研究

发布时间：2018-03-18 04:35

本文选题：蒙特卡洛方法　切入点：无烟煤　出处：《地球物理学进展》2017年04期 　论文类型：期刊论文

【摘要】：瓦斯压力、温度和含水率对煤中瓦斯吸附量具有重要影响,从微观角度进行无烟煤中甲烷分子吸附量研究对准确测定煤层原始瓦斯含量、防治瓦斯灾害、保障煤矿安全生产以及开发利用煤层气能源具有重要意义.本文以山西红旗一坑无烟煤为研究对象,构建了无烟煤大分子结构模型,采用巨正则系综蒙特卡洛方法(GCMC),通过288~308 K下对甲烷分子吸附热计算,验证了模型有效性,据此分析了瓦斯压力、温度和含水率对无烟煤中甲烷分子吸附量影响规律.研究结果表明:(1)温度和含水率一定时,随瓦斯压力增加,无烟煤中甲烷分子吸附量与Langmuir吸附模型一致;(2)含水率和瓦斯压力不变条件下,无烟煤中甲烷分子吸附量随温度升高线性减少,瓦斯压力在0.01~8 MPa范围内,随着瓦斯压力增加,温度对无烟煤中甲烷分子吸附量影响程度先减小后增大;(3)含水率在0~6.494%范围内,无烟煤中甲烷分子吸附量随含水率增加线性减少.
[Abstract]:Gas pressure, temperature and moisture content have important influence on gas adsorption capacity in coal. From the microscopic point of view, the study of methane molecular adsorption in anthracite can accurately determine the original gas content in coal seam and prevent gas disaster. It is of great significance to ensure the safe production of coal mines and to develop and utilize CBM energy. In this paper, a large molecular structure model of anthracite is constructed, which is based on Hongqi-Yipeng anthracite in Shanxi Province. The gas pressure is analyzed based on the calculation of the adsorption heat of methane molecules at 288C 308 K by using the grand canonical ensemble Monte Carlo method. The effect of temperature and moisture content on the adsorption capacity of methane in anthracite is studied. The results show that when the temperature and moisture content are constant, the methane adsorption capacity increases with the increase of gas pressure. Under the condition of constant moisture content and gas pressure, the adsorption amount of methane molecule in anthracite decreases linearly with the increase of temperature, and the gas pressure increases with the increase of gas pressure in the range of 0.01 MPa. The effect of temperature on the adsorption of methane in anthracite decreases firstly and then increases in the range of 0 ~ 6.494%. The adsorption of methane in anthracite decreases linearly with the increase of water content.
【作者单位】：辽宁工程技术大学力学与工程学院;
【基金】：国家自然科学基金面上项目(51374119) 国家重点研发计划专项(2016YFC0600901) 辽宁省高等学校优秀人才支持计划(LR2015028) 辽宁省自然科学基金优秀人才培育项目(2014020156)联合资助
【分类号】：TD712;TQ531

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