@article {48756,
	title = {Mechanistic insights into near ambient pressure activity of intermetallic NiZn/TiO2 catalyst for CO2 conversion to methanol},
	journal = {ChemCatChem},
	volume = {15},
	year = {2023},
	month = {JAN },
	type = {Article},
	abstract = {<p>
	Ni-Zn pair is predicted through descriptor-based studies to be conducive for CO2 hydrogenation. In this study, NiZn (1 : 1) intermetallics supported on TiO2 is identified as a potential candidate for near ambient pressure activity. The effect of reduction temperature on the catalyst textural properties as well as on CO2 to methanol reduction are explored. Structural and microscopic studies provide clear evidence of phase evolution of NiZn alloy with increasing reduction temperatures, along with phase variations of Zn based oxides. Interface between NiZn intermetallics and ZnO nanoparticles observed at reduction temperature of 550 degrees C, seems to play a crucial role in making this system most active and selective to methanol. In addition, in-situ IR studies provide mechanistic insights and indicates the formation of methanolic species even at ambient pressure.</p>
},
	keywords = {CCUS, CO2, In-situ IR, Methanol, near ambient pressure},
	issn = {1867-3880},
	doi = {10.1002/cctc.202201150},
	author = {Dongapure, Pavan and Tekawadia, Jyoti and Thundiyil, Shibin and Caha, Ihsan and Deepak, Francis Leonard and Devi, R. Nandini}
}
@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}
}
