基于分子模拟方法的水分对软硬无烟煤吸附甲烷特性影响研究

    Effect of moisture on methane adsorption characteristics of soft and hard anthracite based on molecular simulation method

    • 摘要: 为准确测定水分影响下的煤体瓦斯吸附量和瓦斯含量,以软、硬无烟煤为研究对象,利用分子模拟中Adsorption模块建立4种煤样在含水率为0%、1%、3%、5%条件下的煤大分子结构模型,并进一步对比了线性方程、传统线性方程、幂函数方程与指数方程在水分影响定量表征方面的适用性。结果表明:不同含水率条件下的软硬煤等温吸附曲线均符合I型等温线特征,软煤的Langmuir体积高于硬煤,在含水率为0%~1%时,4种无烟煤的Langmuir体积受水分变化的影响最敏感;水分效应下软、硬无烟煤瓦斯吸附量的水分影响系数更适用于线性方程进行表征;同时软煤的水分影响程度系数a较小,即含水率的变化对软煤的瓦斯吸附量影响更显著。

       

      Abstract: In order to accurately measure the coal gas adsorption capacity and gas content under the influence of water content, soft and hard anthracite is taken as the research object, and molecular adsorption module is used to establish the coal macromolecular structure model of four coal samples under the conditions of 0%, 1%, 3% and 5% water content. The applicability of linear equation, traditional linear equation, power function equation and exponential equation in quantitative characterization of water content was further compared. The results show that the isothermal adsorption curves of soft and hard coals under different moisture content conform to the characteristics of type I isotherm, and the Langmuir volume of soft coal is higher than that of hard coal, and the Langmuir volume of the four anthracite coals is most sensitive to the change of water content when the moisture content is 0%-1%. The water influence coefficient of soft and hard anthracite gas adsorption capacity under water effect is more suitable for linear equation characterization. At the same time, the influence degree coefficient a of water content of soft coal is small, that is, the change of water content has a more significant influence on the gas adsorption capacity of soft coal.

       

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