Characterization and simulation of graphite edge surfaces for the analysis of carbonaceous material separation from sulfide ores by flotation

•HOPG edge surface analysis helps to explain the flotation behavior of CM.•Multiscale disorders (Raman) and polar O species (XPS) identified at HOPG edge.•Oxidation of graphite edge surfaces simulated by ab-initio method.•Simulated oxidized graphite edge surfaces completely wetted by MD water drop.•Experimental SEM images of face roll-over at HOPG edges explain 40° contact angle.