02098nas a2200241   4500008004100000022001400041245012000055210006900175260000800244300001200252490000700264520120300271653002901474653002001503653004301523653004701566653003301613653000901646100002601655700002101681700002901702856012501731       2024                        eng d  a0360-319900aReaction kinetics for catalytic hydrogenation of quinoline to decahydroquinoline as liquid organic hydrogen carrier0 aReaction kinetics for catalytic hydrogenation of quinoline to de  cNOV  a102-1120 v923 a<p>
	The catalytic hydrogenation of quinoline to decahydroquinoline (DHQ) formation is studied for various parameters such as temperature, hydrogen pressure, reaction time, solvents, reactant-to-solvent ratio, and catalyst loading over 5%Pd loaded on alumina (Pd/Al2O3) to obtain optimal reaction conditions. The hydrogen uptake of quinoline in the liquid phase reaction using isopropylalcohol (IPA) is studied in an autoclave reactor. The optimum reaction parameters of 50 bar H2 pressure and 175oC with reactant to solvent ratio of 1:9 for reaction time of 5 h are observed. The effect of IPA solvent showed that hydrogen uptake of 6.91 wt% with complete hydrogenation of quinoline and DHQ yield of more than 99% is observed. The reaction kinetic model is developed for a simplified reaction mechanism and is simulated using the Markov Chain Monte Carlo (MCMC) simulation tool to predict the rate constants and the experimental observations are validated with the model predictions. The activation energy for quinoline hydrogenation to py-THQ formation is estimated to be 136.57 kJ/mol. It is envisaged that quinoline hydrogenation to pz-THQ is the rate-limiting step in the DHQ formation.</p>
10aDecahydroquinoline (DHQ)10aHydrogen uptake10aLiquid organic hydrogen carrier (LOHC)10aMarkov chain Monte Carlo (MCMC) simulation10aThermal screening unit (TSU)10atool1 aBagwan, Farahanaz, M.1 aKinage, Anil, K.1 aVasireddy, Satyam, Naidu  uhttps://library.ncl.res.in/content/reaction-kinetics-catalytic-hydrogenation-quinoline-decahydroquinoline-liquid-organic01883nas a2200253   4500008004100000022001400041245010100055210006900156260000800225300001100233490000700244520100500251653002901256653003001285653002001315653002301335653002201358653002701380100002601407700002401433700002101457700002901478856012201507       2026                        eng d  a0930-751600aReaction kinetics for dehydrogenation of decahydroquinoline to quinoline for hydrogen generation0 aReaction kinetics for dehydrogenation of decahydroquinoline to q  cFEB  ae701770 v493 a<p>
	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/Al2O3 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.</p>
10aDecahydroquinoline (DHQ)10adegree of dehydrogenation10aDehydrogenation10arate-limiting step10aReaction kinetics10aWeisz-Prater criterion1 aBagwan, Farahanaz, M.1 aDadkar, Sarthak, S.1 aKinage, Anil, K.1 aVasireddy, Satyam, Naidu  uhttps://library.ncl.res.in/content/reaction-kinetics-dehydrogenation-decahydroquinoline-quinoline-hydrogen-generation