Kinetic modelling and structure-reactivity study for the production of GVL from levulinic acid and its esters

This work is based on an experimental research activity in which direct hydrogenation reaction of biomass-derived compounds was performed to produce gamma-valerolactone (GVL), a relevant organic platform molecule in bio-refinery industry. After defining the best operative, levulinic acid (LA) and its alkyl esters (AL) were tested as starting substrates and a kinetic model was obtained from the data. The kinetic study was the starting point to compare the chemical reactivity of the four chosen substrates in the defined system in order to evaluate their advantages and disadvantages from the reaction point of view and taking into account their implications in a further applicative perspective. Finally, a discussion about a possible correlation between the kinetics and the chemical structures of the different substrates is presented.