ABSTRACT Catalytic dehydrogenation of decahydroquinoline (DHQ) to quinoline is a promising pathway for hydrogen release in liquid organic hydrogen carrier systems. In this work, solvent‐free DHQ dehydrogenation over Pd/Al 2 O 3 is systematically investigated to evaluate hydrogen release performance and reaction kinetics. High DHQ conversion (83.9%) and degree of dehydrogenation (82.7%) are achieved at optimal reaction conditions. A power‐law kinetic model based on a simplified reaction mechanism is developed and simulated using a Markov Chain Monte Carlo (MCMC) approach for estimation of rate constants and validation of concentration profiles with experimental data. The apparent activation energies are determined to be 45.85 kJ/mol for DHQ to 5,6,7,8‐tetrahydroquinoline (bz‐THQ) and 185.43 kJ/mol for bz‐THQ to quinoline formation, identifying latter as the rate‐limiting step. This framework provides mechanistic insight and supports the potential of DHQ as an efficient hydrogen carrier.
Bagwan et al. (Sun,) studied this question.