煤狭缝孔中CH4与CO2竞争吸附特性研究

    Study on competitive adsorption characteristics of CH4 and CO2 in coal slit pores

    • 摘要: 为了揭示不同气体在煤狭缝孔中的吸附特性,采用巨正则系综蒙特卡洛模拟方法,研究了不同温度、不同孔径下等比例CH4和CO2气体在煤狭缝孔模型中的吸附行为。结果表明:煤狭缝孔吸附CO2和CH4等温吸附曲线与Langmuir吸附理论模型相吻合,CO2的吸附量、吸附热均大于CH4,煤狭缝孔的吸附量随温度升高而降低,但吸附量受吸附热影响较小;煤狭缝孔吸附CO2和CH4吸附过程是热力学自发过程,不同孔径下,吸附热的变化范围较小,熵变小于0,表明气体分子吸附到煤上以后其运动受到限制,从而导致整个体系混乱度下降,吸附过程越不容易;在吸附过程中,范德华力是主要作用力,分子静电力是次要作用力,二者都随孔径增大而减小;在不同气体竞争吸附体系中,CO2的范德华势能、分子静电势能均大于CH4,表明CO2更易于在煤狭缝孔吸附。

       

      Abstract: In order to reveal the adsorption characteristics of different gases in the coal slit pores, the adsorption behaviors of CH4 and CO2 in the coal slit pores with equal proportions at different temperatures and different pore sizes were studied by using the giant canonical ensemble Monte Carlo simulation method. The results show that the isothermal adsorption curves of CO2 and CH4 by coal slit pores are consistent with the Langmuir adsorption theoretical model; the adsorption amount and heat of CO2 are greater than that of CH4, the adsorption amount of coal slit pores decreases with the increase of temperature, but the adsorption amount is less affected by the adsorption heat; the adsorption of CO2 and CH4 by coal slit pores is a thermodynamic spontaneous process, and the change of the adsorption heat range is small under different pore sizes; the entropy change is less than 0, indicating that the movement of gas molecules adsorbed on coal is limited, which leads to the decrease of the chaos of the whole system and the less easy the adsorption process; in the adsorption process, the van der Waals force is the main force, and the molecular electrostatic force is the secondary force, both of them decrease with the increase of pore size. The van der Waals potential energy and molecular electrostatic potential energy of CO2 are both higher than that of CH4 in different gas competitive adsorption systems, indicating that CO2 is easier to be adsorbed in coal pores.

       

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