Surface properties and floatability comparison of aegirite and specularite by density functional theory study and experiment

Abstract

Understanding the differences in surface properties between aegirite and specularite is of great significance to study their separation. In this work, the surface properties of aegirite and specularite, as well as their relationships to floatability, have been explored by first principle calculation, flotation, and Zeta potential measurement. The surface relaxation indicated that the specularite (001) surface appeared to show more surface reconstruction. The unsatisfied bond properties, Mulliken bond population, and surface charge showed that the floatability of specularite was superior to that of aegirite. The flotation results showed that the hydrophobicity of specularite was higher than that of aegirite with dodecylamine (DDA) as the collector. It is infeasible to separate specularite from aegirite by flotation using starch as the depressant, and research of effective reagents with high affinity to the element Si is the subclinical breakthrough point of specularite/aegirite separation.