Browsing by Author "Berdiyorov G.R."

Now showing items 1-4 of 4

    • Effect of strain on gas adsorption in tight gas carbonates: A DFT study 

      Elbashier E.; Hussein I.; Carchini G.; Sakhaee Pour A.; Berdiyorov G.R. ( Elsevier B.V. , 2021 , Article)
      The geometrical properties of the reservoir rocks are usually affected by natural thermodynamics or environmental changes. These factors may modify the distribution and the amount of gas in place in the reservoir. To address ...

    • Effect of surface morphology on methane interaction with calcite: a DFT study 

      Onawole A.T.; Hussein I.A.; Carchini G.; Sakhaee-Pour A.; Berdiyorov G.R. ( Royal Society of Chemistry , 2020 , Article)
      Natural gas, consisting primarily of methane, is found in carbonate reservoirs of which calcite is major component. However, the complexity and heterogeneity of carbonate reservoirs remain a major challenge in estimating ...

    • Large CO2 uptake on a monolayer of CaO 

      Berdiyorov G.R.; Neek-Amal M.; Hussein I.A.; Madjet M.E.; Peeters F.M. ( Royal Society of Chemistry , 2017 , Article)
      Density functional theory calculations are used to study gas adsorption properties of a recently synthesized CaO monolayer, which is found to be thermodynamically stable in its buckled form. Due to its topology and strong ...

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

      Berdiyorov G.R.; Elbashier E.; Carchini G.; Hussein I.A.; Sakhaee-Pour A. ( Elsevier Editora Ltda , 2021 , Article)
      Density functional theory calculations are used to study the effect of vacancy defects (ionic Ca and charge neutral CO3) on the adsorption properties of CH4 molecule on different calcite surfaces. Both types of vacancy ...