Chitosan as a Selective Flocculant for Beneficiation of High Alumina Containing Indian Iron Ore Slimes: A Theoretical and Experimental Study

"Selective dispersion-flocculation is considered to be an effective process for the beneficiation of ultrafine particles. This process is based on the preferential adsorption of a flocculant on the mineral particles to be flocculated, leaving rest of the mineral suspended. It has been successfully implemented at plant scales for the beneficiation of ultrafine particles of iron ores, for which conventional methods such as gravity separation, magnetic separation and flotation do not work efficiently. However, the key element responsible for the success of any selective flocculation process is the appropriate choice of the flocculant used for achieving the desired selectivity. At our lab, we are working on design and development of such selective reagents for mineral processing applications, including the beneficiation of iron ore slimes, using a combined molecular modeling and experimental approach. In this study we have employed density functional theory (DFT) to calculate the interaction energies and explain the interaction mechanisms of chitosan with the main minerals present in iron ore slimes, namely, hematite [a-Fe2O3], goethite [a-FeO(OH)], gibbsite [a-Al(OH)3] and kaolinite [Al2Si2O5(OH)4]. The magnitudes of the computed interaction energies follow the trend: Hematite > Goethite > Gibbsite ~ Kaolinite Al-OH terminated > Kaolinite Si-O terminated Analysis of the optimized geometries and electronic structures reveals that the O & N atoms of chitosan molecule form coordinate bonds with surface Fe-atoms of hematite while only weak hydrogen bonds are formed in the case of goethite, gibbsite and kaolinite surfaces thus explaining reasons behind the stronger interactions with the hematite surface. The theoretical findings were validated by performing selective flocculation experiments using chitosan as a flocculant. The selective flocculation experimental results show that a final concentrate of ~60% Fe can be obtained from a feed containing 53.13% Fe with Fe recovery of 74%. The mineral estimation in the obtained concentrate indicated that hematite and goethite are recovered in concentrate while gibbsite and kaolinite are rejected in the tails. These observations were consistent with our theoretical findings. Our work highlights the promising role molecular modeling techniques such as DFT can play in the design and development of selective reagents for beneficiation of alumina-rich iron ore slimes."