Unveiling the mechanisms of carboxylic acid esterification on acid zeolites for biomass-to-energy: A review of the catalytic process through experimental and computational studies

Comparative Study of Adsorbed Complexes inside Pores and Cavities of Acid Zeolites with Different Topology: Experimental and Theoretical Insights into Confinement Effects

“…A previous kinetic study suggested that the esterification mechanism proceeds through a surface AA/ethanol coadsorbed complex, where adsorption of both reactants should be involved in the rate-determining reaction step . Subsequent studies combining Thermogravimetric analysis coupled with Fourier Transform Infrared (TG-FTIR) spectroscopy, Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, and density functional theory (DFT) showed that the adsorption of the carboxylic acid on the BAS in a single step is crucial to determine the reaction mechanism on tridimensional zeolites. , A comprehensive review was recently published, which reinforces the need for an in-depth study of acid adsorption in order to gain a better understanding of the mechanism involved in this reaction . Furthermore, a molecular-level understanding of the interactions between the reactants and the catalyst surface is critical for a rational catalyst design.…”

“…22,23 A comprehensive review was recently published, which reinforces the need for an in-depth study of acid adsorption in order to gain a better understanding of the mechanism involved in this reaction. 19 Furthermore, a molecular-level understanding of the interactions between the reactants and the catalyst surface is critical for a rational catalyst design. In summary, a comprehensive understanding of the adsorption modes of adsorbates within zeolites and their interactions with the catalytic site is essential for unraveling the underlying mechanisms of these processes and exploring the potential applications of zeolites.…”

“…Current research focuses on the uses of solid Bro̷nsted acid catalysts for the esterification of carboxylic acids, with the aim of exploring different reaction mechanisms. − Heterogeneous acid catalysis on zeolites takes place at the solid−gas or solid−liquid phase interface. This involves a variety of acidic sites and restricted empty spaces within the zeolite framework.…”