Work

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

Year: 2020

Type: article

Abstract: (calcite). Among the 9 different surface symmetries considered, the strongest adsorption (and consequently the largest adsorption capacity) of methane is found for the 110 surface of the material. In fact, the adsorption capacity of this surface is more than an order of magnitude larger than the one for the 104 surface, which is the lowest energy surface for the calcite. The obtained results are explained by structural analysis and charge calculations. These findings can be useful for the estimation of the ultimate gas recovery taking into account heterogeneous porosity and permeability of the carbonate reservoirs.

Source: RSC Advances

DOI: 10.1039/d0ra02471f

Authors: Abdulmujeeb T. Onawole, Ibnelwaleed A. Hussein, Giuliano Carchini, A. Sakhaee-Pour, Golibjon R. Berdiyorov

Institutions: Qatar University, University of Houston, Hamad bin Khalifa University

Language: English

Topic: Hydrocarbon exploration and reservoir analysis

Subfield: Geology

Field: Earth and Planetary Sciences

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $1,042

Funders: Qatar Foundation, Fonds National de la Recherche Luxembourg, Qatar National Research Fund