Monte Carlo simulation of methane molecule adsorption on coal with adsorption potential

The paper presents a Monte Carlo simulation to study the adsorption characteristics of methane molecule on coal slit pores from different aspects. Firstly, a physical model of adsorption and desorption of methane molecules on micropores was established. Secondly, a grand canonical ensemble was introduced as the Monte Carlo simulation system. Thirdly, based on the model and system, the molecule simulation program was developed with VC++6.0 to simulate the isothermal adsorption relationship between the amount of molecule absorption and the factors affecting it. Lastly, the numerically simulated results were compared with measured results of adsorption coal samples of two different coal mines with a laboratory gas absorption instrument. The results show that the molecule simulations of the adsorption constants, the adsorption quantity, and the isothermal adsorption curve at the same and different coal temperatures were in good agreement with those measured in the experiments, indicating that it is feasible to use the established model and the Monte Carlo molecule simulation to study the adsorption characteristics of methane molecules in coal.