The mechanical deformation of coals occurring extensively during the geological period (tectonically deformed coals) can directly alter their pore structures and then the storage of coalbed methane. This study in-situ investigated the effects of different mechanical deformations on the ultramicropore structure and the methane adsorption of coal molecules using molecular simulations. The results show that the shear deformation (< 0.23 GPa) of coals was much easier than the compression (~ 20 GPa). Further, the shear deformation can increase the void fraction (200%) and the surface area (30%) of coal molecules, comparing to the reduction of them by the compressive deformation. Accordingly, compression is not benefited to the methane storage (only remaining 14-22% adsorption amount). While, the shear deformation of coals can increase the methane adsorption amount (reaching 42–50 mmol/g). The ~ 7.5 Å is a key pore size to evaluate the effect of the shear deformation on the methane adsorption amount. Also, the adsorption sites for methane depends on the deformation mode of coals (compression: heteroatoms; shear: C atoms). Overall, the strained Wiser (bituminous, medium-rank) coal shows relatively superiority in the methane storage, while the methane adsorption of Wender (lignite, low-rank) coal is much more sensitive to the mechanical strain.
Read full abstract