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Gas Adsorption On Chromia Surface Using DFT Simulations: Ahmed Darwish Jacob Eapen by Sherly Aulia is a document available to read on EtoBox.

This study investigates the adsorption characteristics of carbon monoxide (CO), carbon dioxide (CO2), and methane (CH4) on chromia surfaces using density functional theory (DFT) simulations. The results indicate that all three gases exhibit weak physisorption, with adsorption energies ranging from -0.2 to -0.5 eV. This suggests that the chromia surface may not provide sufficient protection against carburizing gaseous impurities in very high-temperature reactors.

Author

Sherly Aulia

Language

EN