Pd on ligand-decorated chitosan as an efficient catalyst for hydrofinishing polyalphaolefins: Experimental and computational studies

Abstract

Hydrofinishing of polyalphaolefins is a crucial step for improving their features and expanding their industrial applications. In the present study, a novel chitosan-based catalyst was designed for this purpose. Chitosan was first modified with a ligand to synthesize the catalyst. Computational studies were conducted to identify an efficient ligand from a series of possible candidates. Subsequently, chitosan was functionalized with the selected ligand, palladated, and used as a heterogeneous catalyst for hydrofinishing of polyalphaolefins. The reaction variables comprising the reaction temperature, pressure, and catalyst loading were optimized, and the results showed that 5 wt% catalyst could promote the hydrofinishing reaction under hydrogen pressure of 6 bar at 130 °C to obtain hydrogenated oil with a yield of 98%. Moreover, the nature of catalysis was heterogeneous, and the catalyst could be recovered and reused in five runs with only a slight loss of catalytic activity and Pd leaching.