Kinetic Network Modeling of the Catalytic Upgrading of Biomass's Acetate Fraction to Aromatics

The acetate fraction is the fourth most abundant fraction by weight in many plant species and can be easily extracted as acetic acid in high yields. We have previously shown that acetic acid obtained from steam pretreated beech wood could be upgraded in a single step into a mixture of cycloalkenes and aromatics suitable for use as an aviation fuel additive. In this work, we developed and validated a reaction network of this process by performing a detailed kinetic study. Specifically, a network kinetic model along with experimental data was used to estimate the kinetic and adsorption equilibrium parameters of the main reactions in our simplified reaction mechanism. Analysis of the experimental data and the proposed model and parameters provided insight into the reaction network and the process conditions required for optimal operation.

Automated summary

The acetate fraction, a compound found in many plant species, can be easily extracted as acetic acid. This study developed a reaction network for the conversion of acetic acid into cycloalkenes and aromatics suitable for use as an aviation fuel additive. The proposed model and parameters provide insights into the reaction network and optimal operation conditions.