The study investigates an innovative approach to obtaining bio-based adipic acid from waste biomass, achieving high yields of up to 95 % without harmful by-products such as NOx found in conventional processes. It introduces an innovative process enhancing feedstock sustainability and clean production, while also developing a microkinetic model for optimization.
A microkinetic model incorporating mass transfer, adsorption/desorption kinetics, and surface kinetics was developed based on the experimental data and ab initio calculations. Quantum chemical calculations were used to analyze the reaction mechanism of dehydroxylation and hydrogenation mucic acid on a model surface, which was Re(0001). The dehydroxylation proceeds faster (k > 104 mol L−1 s−1, Ea = 39–78 kJ mol−1) than subsequent hydrogenation (k < 100 mol L−1 s−1, Ea = 72–133 kJ mol−1), which was confirmed with the experiments. The activation barriers and adsorption energies were used in the microkinetic model. Hence, a powerful tool for real-time process analysis and informed projection of future optimization and scale-up strategies was developed.