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-organic