Microwave enhanced catalytic hydration of acrolein to 3-hydroxypropionaldehyde using simultaneous cooling: Experimental and theoretical studies

Catalytic hydration of acrolein to 3-hydroxypropionaldehyde (3-HPA) is a key step for the chemical production of 1,3-propanediol (1,3-PDO) from renewable glycerol. However, a main issue of low reaction rate and long reaction time exists in the conventional hydration process. Here, we developed a microwave-assisted system for the efficient conversion of acrolein to 3-HPA. Simultaneous cooling method was adopted to maintain continuous microwave irradiation and meanwhile stable temperature during the reaction. The effects of catalyst type, temperature, catalyst loading and microwave power on acrolein conversion and 3-HPA selectivity were examined. Kinetic study showed that microwave irradiation could help for the reduction in activation energy, which led to acceleration in reaction rate during the acrolein hydration process. In addition, the density functional theory (DFT) calculations on the adsorption and reaction behavior of reactants molecules on the catalyst are consistent with the experimental results, which confirm the intensification effect of the microwave field.