Biomass Valorization: Thermodynamics of the Guerbet Condensation Reaction

Abstract

The “Guerbet condensation reaction” was considered as a seminal sustainable chemical process for production of renewable platform chemicals and biofuels from biobased aliphatic alcohols feedstock. Thermochemical data for the main condensation product 2-butyl-1-octanol and for the hexyl hexanoate as the main side product were determined by using the combustion calorimetry and the transpiration method. Experimental data on standard molar enthalpies of formation and standard molar enthalpies of vaporization were validated with the help of quantum-chemical and empirical methods. Thermodynamic analysis of the “Guerbet alcohols synthesis reaction” was performed. The most efficient conditions are expected to be between ambient temperatures and 400 K, and the experimental conditions are limited by the dehydrogenation reaction and catalyst activity in this process.