Effect of mixed collector on the LRC flotation: an experimental and molecular dynamics simulation study

Abstract

ABSTRACT To investigate the mechanism underlying the effect of mixed collector (MC) composed of diesel and span-80 on LRC flotation, a combination of experimental and molecular simulation approaches was employed. The flotation results demonstrated that the use of MC yielded superior flotation performance compared to diesel alone. The ratio of diesel to span-80 emerged as a key factor influencing the performance of MC collection. Furthermore, molecular dynamics (MD) simulations were employed to investigate the adsorption processes of dodecane and MC molecules on the LRC surface in the LRC/dodecane/water and LRC/MC/water systems, respectively. The analysis encompassed microstructure, dynamic properties, interaction energy, and hydrogen bonding. The findings indicated that the presence of span-80 molecules facilitated the direct entry of dodecane molecules in MC into “microscopic cavities,” thereby enhancing the adsorption of MC on the LRC surface. The analysis of interaction energy revealed a stronger interaction between MC molecules and the coal surface, with van der Waals energy playing a major role in the adsorption process. Additionally, span-80 molecules induced hydrogen bonding adsorption on the LRC surface.