Conversion of Ethanol to Guerbet Alcohols and Other Products: Combined Catalytic and Theoretical Study.

The present study investigates the catalytic upgrading of bioethanol to higher-value chemicals through heterogeneous catalysis, with a focus on the production of 1-butanol as a versatile compound widely used in many applications. Copper-impregnated Li-Al mixed metal oxides were synthesized and characterized as catalysts for ethanol transformation. Comprehensive characterization techniques were involved to correlate catalyst properties with their performance and describe catalyst stability. The catalysts showed promising activity in the formation of higher alcohols under a high weight hourly space velocity (WHSV) and pressure. Theoretical calculations were incorporated into the study to describe the feasibility of individual steps in the Guerbet reaction with main side reactions involved and to supplement information regarding the influence of the catalyst itself. The temperature effects on the reactions were illustrated. In this way, we attempted to explain the role of the catalyst in the reaction pathways, contributing to a more precise tuning of the catalytic system.