Promotional effect of Sr modification on the catalytic oxidation of hydrogen chloride to chlorine over Cu/Y zeolite catalyst

Copper-based catalysts are regarded as highly promising catalysts for the oxidation of hydrogen chloride (HCl) to chlorine. This study involved the preparation of a range of copper-based catalysts via impregnation. The aim was to investigate the impact of Sr loading on the conversion rate of HCl in Cu/Y zeolite catalysts, through experimental analysis. The physicochemical properties of the catalyst were investigated using a series of characterization techniques. The experiment validated that the addition of Sr could improve the catalytic activity of Cu/Y zeolite catalyst and reduce the catalytic reaction temperature. The HCl conversion rate exceeded 89 %, with a spatial–temporal yield of approximately 2.75 gCl2gcat-1h-1 when the Sr loading amount was 1.5 %. The characterization results indicated that the addition of Sr further increased the proportion of highly dispersed copper. Additionally, molecular simulation techniques were employed to investigate the interaction between the reactants and the catalyst. Monte Carlo simulation showed that the adsorption capacity of zeolite for HCl was further enhanced by the addition of Sr. Molecular dynamics simulation showed that the addition of Sr reduced the diffusion of reactants in the catalyst support channel and promoted the catalytic reaction.