The effect of vacancy defects on the adsorption of methane on calcite 104 surface

The effect of vacancy defects on the adsorption of methane on calcite 104 surface

<p dir="ltr">Density functional theory calculations are used to study the effect of vacancy defects (ionic Ca and charge neutral CO<sub>3</sub>) on the adsorption properties of CH<sub>4</sub> molecule on different calcite surfaces. Both types of vacancy defect...

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Bibliographic Details
Main Author: G.R. Berdiyorov (7170563) (author)
Other Authors: E. Elbashier (17269009) (author), G. Carchini (17269012) (author), I.A. Hussein (17269015) (author), A. Sakhaee-Pour (17269018) (author)
Published: 2021
Subjects:
Engineering
Materials engineering
Resources engineering and extractive metallurgy
Gas adsorption
Density functional theory (DFT)
Vacancy defect
Carbonate reservoir
Gas reserve estimation
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