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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.
Gas pressure, temperature and water content have an important influence on the amount of gas adsorbed in coal. From the microscopic point of view, the study on the adsorption of methane molecules in anthracite can be used to accurately measure the original gas content of coal seam, prevent gas disasters, ensure coal mine safety and exploit coalbed methane energy Is of great significance.In this paper, an anthracite coal anthracite was selected as the research object in Shanxi Province to construct a macromolecule structure model of anthracite coal. GCM was used to calculate the adsorption heat of methane molecule from 288 to 308 K The effectiveness of the model is analyzed, and the influence of gas pressure, temperature and water content on the adsorption amount of methane molecules in anthracite coal is analyzed.The results show that: (1) when the temperature and water content are constant, with the increase of gas pressure, methane molecules in anthracite are adsorbed (2) Under the condition of constant moisture content and gas pressure, the adsorption amount of methane in anthracite coal decreases linearly with the increase of temperature, and the gas pressure is in the range of 0.01-8 MPa. With the increase of gas pressure, the temperature The degree of influence on the adsorption amount of methane molecules in anthracite coal first decreases and then increases; (3) The moisture content ranges from 0 to 6.494% Methane molecules adsorbed amount decreases linearly with increasing water content.