Abstract
The chemical structures of tectonically deformed coal are significantly altered by stress. However, the stress response of non-covalent bonds in deformation experiments and the role of non-covalent bonds in the deformation process of coal have not been studied yet. In this work, coals before and after simulative deformation experiments were systematically investigated to uncover the coal’s deformation mechanism and the variation of non-covalent bonds. The results indicate that differential stress and temperature can promote ductile deformation while confine pressure hinders the deformation process. Differential stress and temperature in the ranges of 100−150 MPa and 100−200 °C, respectively, are key transition conditions from brittle to ductile deformation for the selected bituminous coal. Furthermore, hydrogen bonds and π−π bonds crosslinking coal molecular networks determine the mechanical properties of the coal. The simulative deformation experiments indicate that, with an increase in the coal’s deformation intensity, hydrogen bonds and π−π bonds are inclined to be disrupted in the relaxation stage, which enhances the motion ability of the liberated molecular structures and reduces the brittleness of the coal. In the rearrangement stage, tighter and more ordered configurations are formed, accompanied by the formation of π−π bonds. Coals in the deformation experiments are inclined to undergo ductile deformation once sufficient non-covalent bonds are cleaved in the relaxation stage.