@article {49014,
	title = {Experimental and kinetic modelling studies for the design of fixed bed methanol reactor over CuZA catalyst},
	journal = {Chemical Engineering Research Design },
	volume = {205},
	year = {2024},
	month = {MAY},
	pages = {79-90},
	type = {Article},
	abstract = {<p>
	Direct conversion of CO 2 via hydrogenation to value-added chemicals is a vital approach for utilising CO 2 emitted into the atmosphere. In this paper, a critical analysis of reaction kinetic modelling studies is explored in a fixed bed reactor to improve methanol yield for different H 2 to CO 2 ratios by simulating a lab-scale reactor for adiabatic and isothermal conditions. The feed inlet temperature and pressure variations are applied to study the effect of both configurations on methanol production. The results show that the isothermal configuration yields 2.76\% more methanol yield compared to the adiabatic reactor. The effect of H 2 to CO 2 molar ratios of 3, 6 and 9 on the performance of the catalyst and the influence of CO and CO 2 hydrogenation is investigated with model simulations. The overall methanol yield is increased from 19.03\% to 36.41\% with increase in H 2 to CO 2 molar ratio from 3 to 9. Experiments are performed using commercial copper-based catalyst for different temperatures of 210, 230 and 250 degrees C at a pressure of 40 bar for H 2 /CO 2 of 3 and GHSV of 720 h -1 as well as at optimal temperature of 250 degrees C and 50 bar with varying H 2 /CO 2 of 3, 6, 9 for 3 g and 6 g catalyst. The maximum methanol yield of 2.53\% and space time yield of 13.59 mg/g cat .h is obtained at H 2 /CO 2 ratio of 9.</p>
},
	keywords = {CO2 conversion, CuZA catalyst, H2 toCO2 molar ratio, Kinetic modelling, Methanol},
	issn = {0263-8762},
	doi = {10.1016/j.cherd.2024.03.032},
	author = {Bagwan, Farahanaz M. and Dongapure, Pavan and Kulkarni, Amol A. and Vasireddy, Satyam Naidu}
}
@article {49270,
	title = {Reaction kinetics for catalytic hydrogenation of quinoline to decahydroquinoline as liquid organic hydrogen carrier},
	journal = {International Journal of Hydrogen Energy},
	volume = {92},
	year = {2024},
	month = {NOV},
	pages = {102-112},
	type = {Article},
	abstract = {<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>
},
	keywords = {Decahydroquinoline (DHQ), Hydrogen uptake, Liquid organic hydrogen carrier (LOHC), Markov chain Monte Carlo (MCMC) simulation, Thermal screening unit (TSU), tool},
	issn = {0360-3199},
	doi = {10.1016/j.ijhydene.2024.10.247},
	author = {Bagwan, Farahanaz M. and Kinage, Anil K. and Vasireddy, Satyam Naidu}
}
