Synergistic effect of Fe2O3 and CuO on simultaneous catalytic hydrolysis of COS and CS2: Experimental and theoretical studies

Abstract

In this work, experimental and theoretical methods were used to investigate the synergistic effect of Fe2O3 and CuO on simultaneous catalytic hydrolysis of COS and CS2. Experimental results indicated that Fe2O3 mainly focused on the removal of CS2, and CuO mainly focused on the removal of COS. Meanwhile, Fe2O3 and CuO had the synergistic effect on simultaneous removal of COS and CS2. Theoretical results indicated that the adsorption priority order over Fe2O3(0 0 1)/CuO(1 1 0) was H2O > CS2 > COS. Furthermore, H2O was easy to migrate onto the surface of CuO(1 1 0), and CS2 was easy to migrate onto the surface of Fe2O3(1 1 0). Meanwhile, COS was preferentially adsorbed on Fe2O3(0 0 1). Fe2O3(0 0 1) and CuO(1 1 0) surfaces were beneficial for the adsorption of –OH groups. Fe2O3(0 0 1) enhanced the first step hydrolysis of CS2. CuO(1 1 0) enhanced the COS hydrolysis. The synergistic effect of Fe2O3 and CuO was attributed to the different hydrolysis priority of COS and CS2. Firstly, CS2 was adsorbed on Fe2O3 surface and the first step hydrolysis of CS2 occurred. Then, the hydrolysis product COS migrated from Fe2O3 to CuO and the COS hydrolysis occurred. The theoretical results were consistent with the experimental results.