Characterisation of competitive adsorption of CH4 and CO2 mixed components in a coal body based on molecular simulation
摘要
The competitive adsorption behaviour of CH4 and CO2 in coalbed methane mining is crucial for the optimisation of CO2 enhanced coalbed methane recovery (CO2-ECBM) technology. In this paper, the giant canonical monte carlo (GCMC) method is used to simulate and study the competitive adsorption behaviour of CH4 and CO2 mixed component gases at different temperatures, pressures, water contents and molar ratios. The results showed that: the competitive adsorption capacity of CO2 was significantly stronger than that of CH4, and the increase of its molar ratios could effectively replace CH4; The increase of temperature or water contents decreased the heat of adsorption of equivalence of CH4 and CO2 as well as the Langmuir parameters a and b, which weakened the adsorption selectivity of CO2, but the competitive ad-sorption advantage was still maintained; the competitive adsorption ad-vantages of CH4 were also maintained. However, its competitive adsorption advantage was still maintained; under the conditions of low pressure and high CO2 molar ratios, CO2 had the strongest ability to drive CH4; under the conditions of high pressure and low CO2 molar ratios, the adsorption selec-tivity coefficient of CO2 to CH4 decreased the most; there was an upper limit of saturation in the driving of CH2 by CO2, and even if the molar ratios con-tinued to increase, the driving efficiency was still low. There is a sat-uration limit for the substitution of CH4 by CO2, and even if the molar ratios of CO2 continues to increase, the substitution efficiency is not significantly improved. This study reveals the competitive adsorption mechanism between CH4 and CO2 at the mo-lecular level, and provides a theoretical basis for optimising CO2-ECBM technology and improving CBM recovery.