Abstract
To study the adsorption characteristics of CO, CO2, N2, O2, and their binary-components in lignite coal, reveal the influence of CO2 or N2 injection and air leakage on the desorption of CO in goafs, a lignite model (C206H206N2O44) was established, and the supercell structure was optimized under temperatures of 288.15–318.15 K for molecular simulation. Based on molecular dynamics, the Grand Canonical Monte Carlo method was used to simulate the adsorption characteristics and the Langmuir equation was used to fit the adsorption isotherms of gases. The results show that for single-components, the order of adsorption capacity is CO2 > CO > O2 > N2. For binary-components, the competitive adsorption capacities of CO2 and CO are approximate. In the low-pressure zone, the competitive adsorption capacity of CO2 is stronger than that of CO, and the CO is stronger than N2 or O2. From the simulation, it can be seen that CO2, N2 or O2 will occupy adsorption sites, causing CO desorption. Therefore, to prevent the desorption of the original CO in the goaf, it is not suitable to use CO2 or N2 injection for fire prevention, and the air leakage at the working faces need to be controlled.
Highlights
CO is a toxic and harmful gas in a coal mine, which affects the health of miners and restricts the production of coal mines[1]
Zhang et al.[14] and Wu et al.[15] used a Monte Carlo-based molecular simulation method to study the effect of moisture content on coal adsorption of methane
The research of scholars mainly focused on the competitive adsorption of C H4, N2, and C O2 by experiments or molecular simulation methods
Summary
CO is a toxic and harmful gas in a coal mine, which affects the health of miners and restricts the production of coal mines[1].
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