Kinetic modeling of conversion of glycerol to 1,2-propanediol over bifunctional LDH catalyst

Abstract

The performance of a highly efficient Cu0.45Zn0.15Mg5.4Al2O9 catalyst was investigated using a high-pressure autoclave reactor by adjusting several reaction conditions. The involvement of intermediates (Hydroxyacetone, Propylene glycol, Ethylene glycol) was explored to better understand the reaction pathways. The hydrogenolysis reaction was shown to be a multistep process, including the dehydration of glycerine to hydroxyacetone and then the hydrogenation of hydroxyacetone to 1,2-PDO. Finally, several kinetic models were established, and experimental outcomes were fitted to these models. The reaction kinetic parameters were calculated in MATLAB using ode45 and ode23s combined with optimization strategies to solve the resultant ordinary differential equations. The modified Power law model and the Eley-Rideal (E-R) models adequately correlated the experimental outcomes for two step hydrogenolysis reaction, according to the findings. The modified power law model revealed a pseudo-first order reaction in case of glycerol, and the energy of activation was calculated as 52.6 ​kJ/mol.

Keywords

• Hydrogenolysis of glycerol
• Kinetic study
• Bifunctional LDH catalyst
• Modified power law model
• Eley-rideal model