| Abstract: | Controlling coal dust produced in the process of underground coal mining is imperative because it can cause serious health problems, such as pneumoconiosis. In the present work, we have conducted a comprehensive investigation of the adhesion and peeling process of a coal molecule on graphene using molecular dynamics(MD) simulation. First, we simulate the adhesion of a coal molecule on a graphene substrate, where the critical adhesion distance and adhesion force are analyzed. Next, the process of a coal molecule peeled from the substrate is simulated, the equilibrium configurations, loading position, peeling force, and peeling angle of which are discussed. After comparing the MD simulation results with those of continuum models, we conclude that they are in excellent agreement. These analyses have deepened our understanding of the interplay between coal molecules and solid surfaces, which may prove beneficial when creating scientific methods of dust control. |
