Solvent effect investigation on the acid-catalyzed esterification of levulinic acid by ethanol aided by a Linear Solvation Energy Relationship - Normandie Université Access content directly
Journal Articles Chemical Engineering Science Year : 2022

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

Abstract

When processing lignocellulosic biomass materials to obtain platform molecules such as levulinic acid (LA), alkyl levulinates or -valerolactone (GVL), the choice of solvent is of prime importance for kinetics. The knowledge of relationships between reaction kinetics and solvent serves as a decision tool for process design. To determine such relationships, esterification reactions was chosen because such reaction steps are present in several biomass conversion processes. In this work, kinetic models of LA esterification by ethanol over sulfuric acid in polar aprotic solvent (GVL) and polar protic solvents (water or ethanol) were developed and evaluated by Bayesian statistics. The apparent dissociation constants in solvents were estimated by ePC-SAFT approach to distinguish the proton concentration from the rate constants. The developed models can fit the experimental concentrations of ethyl levulinate and predict the proton concentration. Using the Kalmet-Abboud-Taft equation, linear relationships between estimated rate constants and solvent properties were established at different temperatures. We observed that solvents with low polarizability and high bond acceptor capacity should be favored for this reaction. Hence, the reaction of esterification is faster in ethanol solvent than in GVL solvent than in water solvent.
Fichier principal
Vignette du fichier
Version_17.01.pdf (830.57 Ko) Télécharger le fichier
Origin : Files produced by the author(s)

Dates and versions

hal-03735962 , version 1 (21-07-2022)

Identifiers

Cite

Sindi Baco, Marcel Klinksiek, Rashid Ismail Bedawi Zakaria, Elizabeth Antonia Garcia-Hernandez, Mélanie Mignot, et al.. Solvent effect investigation on the acid-catalyzed esterification of levulinic acid by ethanol aided by a Linear Solvation Energy Relationship. Chemical Engineering Science, In press, pp.117928. ⟨10.1016/j.ces.2022.117928⟩. ⟨hal-03735962⟩
56 View
157 Download

Altmetric

Share

Gmail Facebook Twitter LinkedIn More