Detailed Kinetics of Pyrolysis and Combustion of Catechol and Guaiacol, as Reference Components of Bio-Oil from Biomass

Abstract

Fast biomass pyrolysis is an effective process to produce bio-oils thus allowing to partially replace non- renewable fossil fuels. Bio-oils are complex mixtures with a great amount of large oxygenated organic species, such as substituted phenolic components. Although experimental and kinetic modeling studies of phenol and anisole pyrolysis and combustion are available in the literature, only a minor attention has been devoted to kinetic mechanisms of substituted phenolic species, such as catechol and guaiacol. Multiple substitutions on aromatic ring can originate proximity effects and thus significantly modify bond energies, consequently affecting reaction pathways. Careful evaluations of bond dissociation energies and reference kinetic parameters, based on theoretical computations, are first performed. Guaiacol and catechol pyrolysis and combustion reactions are then compared with the corresponding phenol and anisole mechanisms. This kinetic study allows to identify some preliminary rate rules useful to validate a detailed kinetic mechanism of bio-oil pyrolysis and combustion.