CO2/N2二元气体对甲烷在煤中吸附影响的分子模拟研究

Molecular simulation of the effect of CO2/N2 binary gas on methane adsorption in coal

  • 摘要: 二元气驱技术(CO2/N2-ECBM)已成为煤层气增产的重要手段,明确CO2/N2在煤层中的竞争吸附规律以及对煤层物性的影响具有重大意义。利用分子模拟软件Materials Studio建立延川南煤层气实际区块温度、压力条件下的煤分子模型。基于巨正则蒙特卡洛(GCMC)方法研究CO2/N2交替驱替煤层气技术中各注入阶段对CH4吸附的影响,明确CO2、N2对煤层孔渗物性的影响规律。结果表明:在CO2注入阶段,煤层中甲烷迅速解吸;煤中气体吸附总量上升,煤基质膨胀效应增强,导致煤的孔隙体积降低。而转N2注入后,由于N2分压作用使得CH4、CO2吸附量呈现出不同程度的降低;当ωN2/ωCO2≤0.6时煤分子中气体总吸附量迅速降低,而当N2饱和吸附后气体总吸附量保持稳定。煤层孔渗物性随着气体吸附总量呈现出迅速增大后趋于平缓的趋势。此外,ωN2/ωCO2>0.6后N2吸附率迅速降低,这会使得产出气中CH4纯度较低,导致后期提纯成本大大增加。因此,当ωN2/ωCO2=0.6左右时,CH4解吸量为最大值,煤孔隙率较高,最有利于煤层气的开发。

     

    Abstract: The binary gas flooding technology (CO2/N2-ECBM) has become an important means of increasing the production of coalbed methane(CBM). It is of great significance to clarify the CO2/N2 competitive adsorption law in coal seams and its influence on the physical properties of coal seams. The molecular simulation software Materials Studio was used to establish a coal molecular model according to the actual temperature and pressure of the CBM block in Yanchuannan. On the basis of the Grand Canonical Monte Carlo(GCMC) method, the influence of each injection stage in the technology of CO2/N2 alternate displacement of CBM on the adsorption of CH4 was studied, and the law of the influence of CO2 and N2 on the porosity and permeability of coal seams was clarified. The results show that during the CO2 injection stage, the methane in the coal seam is rapidly desorbed, and due to the increase of the total amount of gas adsorbed in the coal seam, the coal matrix swelling effect enhances, which leads to a reduction in the pore volume of the coal. During the N2 injection, the adsorption of CH4 and CO2 shows different degrees of reduction due to the partial pressure of N2. The total adsorption amount of gas in coal molecules decreases rapidly when ωN2/ωCO2≤0.6, while it remains stable after the saturated adsorption of N2. With the total amount of gas adsorption, the porosity and permeability of the coal seam show a rapid increase and then tend to be flat. In addition, the N2 adsorption rate decreases rapidly after the ωN2/ωCO2>0.6, which makes the purity of the CH4 lower in the produced gas, resulting in a large increase in the cost of later purification. Therefore, when ωN2/ωCO2=0.6, the amount of CH4 desorption is the maximum and the coal porosity is relatively high, which is most conducive to CBM development.

     

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