Molecular dynamics study of the effect of temperature on the flotation behavior of sodium oleate on the surface of diaspore

Abstract

The effect of temperature on the flotation behavior of sodium oleate on the surface of diaspore was investigated by using molecular dynamics (MD) simulations at three selected temperatures of 278.15 K, 303.15 K and 328.15 K. Conformational analysis, RDF analysis, hydrogen bonds statistics, SASA calculations and interaction energy analysis revealed that a certain range of temperature increase was beneficial for flotation, and the right temperature could yield better reagent dispersion and better mineral-reagent interactions. It was also noted that the enhanced molecular motion due to increased temperature may negatively affect the adsorption of the reagent on the mineral surface. The present study has theoretical implications for the effect of temperature on the flotation behavior of ionic surfactants on mineral surfaces.