The last of the current studies is the reaction of CO2 to carbonate (CO32 -) on MgO and CaO shells. Furthermore, an attempt is made to characterize the proposed CO2/(MgO) 9 adsorption by calculating its vibrational frequency and comparing it with experiments. Later studies deal with SO2 adsorption on cluster models (MgO) 9 and (CaO) 9 . Examine the list order of CO2 in (MgO) 9 and (CaO) 9 cluster models using viscosity function model simulations. This result indicates that CO adsorption as a refuge for MgO and CaO in force leads to lateral carbonate-CO32 conformation. Slight differences in wrist stability between CO2 patch and facial O2 points were determined to be very similar. The estimated adsorption forces are 1.47 eV and 1.52 eV for (MgO) 9 and (CaO) 9 clusters, respectively. Avidity similarities are clustered with respect to cluster electropositivity. The CO2 oscillation frequencies adsorbed on the (MgO)9 surface are calculated and compared with experiments. We conclude that pristine spots of the Lewis-Dunn O2 type have similar intensities independently of different alkaline-earth cations, in the absence of the Madelung possibility, as in the case of clusters.

Author(s) Details:

Fathi Hassan Bawa,
Department of Physics, Faculty of Science, Misurata University, P.O.Box 2880, Misurata, Libya.

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Keywords: Density functional theory, catalysis, (MgO)9, (CaO)9, CO2 molecule, surface of carbonate, vibrational frequency