Adsorption Behaviors of Straight-Chain Alkanes on a Molybdenite [001]/[100] Surface: A Molecular Dynamics Study

Abstract

Straight-chain alkanes (SCA) as collectors can effectively enhance the floatability of molybdenite. In a previous study, SCA were found to have an excellent adsorption effect on the molybdenite [001] surface (MS001), but they exhibited no adsorption behavior on the molybdenite [100] surface (MS100). However, other studies have shown that SCA could adsorb on MS100. In this paper, the underlying cause of this contradictory conclusion was identified by molecular dynamics simulation. The results show that SCA could adsorb both MS001 and MS100. However, at low SCA dosages, SCA have a strong interaction with MS001 but desorb quickly on MS100. This leads to the selective adsorption of SCA on MS001. As SCA’s concentration gradually increases, the selective adsorption behavior of SCA on MS001 will be disrupted. Excessive SCA concentration will lead to its adsorption at MS100.