Molecular insight into the diffusion/flow potential properties initiated by methane adsorption in coal matrix: taking the factor of moisture contents into account

Coal seam permeability is one of the key parameters affecting coalbed methane (CBM), and plays an important role in resource evaluation and regional selection. To fully explore the diffusion/flow potential properties initiated by methane adsorption beneath diverse moisture contents (1–5%) in coal molecules. The pore size distribution and methane adsorption capacities were discussed based on Monte Carlo (MC) and molecular dynamics (MD) methods. The potential properties of diffusion/flow induced by methane adsorption were investigated using the maximum absolute adsorption capacities as benchmark. The variation patterns of the pore structure were analyzed using SEM scanning experiment to verify the results of simulation analysis. It is found that the free pores facilitate methane molecular adsorption and increase adsorption spaces; the skeleton pores restrict the flow and transport of water molecules. Reduction values in surface free energies increase at different temperatures, and released heat diffusion coefficients and permeabilities for methane molecules drop as moisture contents increase. Interestingly, however, enhancements in temperatures increase the methane molecular diffusion coefficients. The lower the activation energies, the easier they are to diffuse. Sufficiently, the optimum conditions for gas drainage of coal seam are at temperature of 293K and moisture content of 5%, indicating greater contributions to gas pressure relief for coal seam. By comparing the results of molecular simulation and SEM scanning, trend of change is basically the same. Moreover, it is explored that hydraulic measure was the most significant to the CBM stimulation technology through field engineering application. This research is expected to provide guidance for facilitating the effectiveness of gas extraction for coal seam.