Abstract

Under air flotation conditions, the effect of an electric field (EF) to the interfacial properties of hydrophobic particles in salt solution was investigated by using molecular dynamics simulation. The varieties of thickness of the hydrophobic layer on the surface of the hydrophobic particles, radial distribution function of Na+, diffusivity of CO2 and H2O, residence time of H2O in the solvent shell of Na+, and the distribution of CO2 near the graphene caused by the applied EF in different NaCl systems were calculated, and all those results were compared with those where there is no EF applied. The results reveal that the thickness of the hydrophobic layer near the hydrophobic particles is decreased under an EF. The coordination number and residence time of H2O in the solvent shell of Na+ are also decreased, which indicates that the restraint of Na+ on surrounding H2O is weakened, and the H2O molecules are more mobile. Under an external EF, the diffusion coefficient of CO2 and H2O is increased, and the quantity of CO2 near the surface of graphene is decreased according to the numerical results of the radial distribution of graphene-CO2. All the results indicate that the EF will decrease the thickness of the hydrophobic layer near hydrophobic particles, which can therefore weaken the adsorption between the hydrophobic particles and the gas molecules. The simulation results in the present study can provide theoretical support for brine mineral flotation under an external EF.

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