Solvent effect investigation on the acid-catalyzed esterification of levulinic acid by ethanol aided by a Linear Solvation Energy Relationship

When processing lignocellulosic biomass materials to obtain platform molecules such as levulinic acid (LA), alkyl levulinates or ?-valerolactone (GVL), the choice of solvent is prime importance for kinetics. The knowledge relationships between reaction kinetics and serves a decision tool process design. To determine relationships, esterification reactions was chosen because steps are present in several conversion processes. In this work, kinetic models LA by ethanol over sulfuric polar aprotic (GVL) protic solvents (water ethanol) were developed evaluated Bayesian statistics. apparent dissociation constants estimated ePC-SAFT approach distinguish proton concentration from rate constants. can fit experimental concentrations ethyl levulinate predict concentration. Using Kalmet-Abboud-Taft equation, linear properties established at different temperatures. We observed that with low polarizability high hydrogen-bond acceptor capacity should be favored reaction. Hence, faster than GVL water solvent.