Kinetic modeling and exergy analysis of selective furfural hydrogenation to THFA in an integrated biorefinery with on-site green hydrogen production

Tetrahydrofurfuryl alcohol (THFA) is a hydrogen-rich product obtained via the two-step hydrogenation of bio-based furfural. However, maximizing THFA selectivity remains challenging due to the complex reaction pathway. This study addresses the limited availability of exergy-based analyses of furfural hydrogenation processes integrating mechanistic kinetics and process simulation. A third dual-site Langmuir–Hinshelwood model is applied to account for adsorption effects in describing furfural conversion and THFA formation, showing good agreement with experimental trends (R 2 > 0.998; MAPE <4%) using a Ni–Cu/Al catalyst in 2-butanol. The integrated process—comprising water electrolysis, catalytic reaction, and THFA purification—identified a global exergy efficiency of 77.32% and total exergy destruction of 25.363 GJ/h. The electrolyzer (54.40%) and the reactor (40.32%) were the main irreversibility sources, highlighting the importance of thermal management. These results set a precedent for integrating biomass-derived LOHC systems into more energy-efficient and sustainable hydrogen value chains.