@article{scholars20247,
            year = {2024},
         journal = {Molecular Simulation},
           pages = {247--257},
          number = {4},
            note = {cited By 0},
          volume = {50},
             doi = {10.1080/08927022.2023.2293182},
           title = {Monte Carlo dynamics simulation of nanoparticles for enhanced oil recovery},
          author = {Yusuff, A. O. and Guan, B. H. and Sikiru, S. and Ayub, S. and Wahaab, F. A. and Yarima, M. H. and Almalki, A. A.},
        abstract = {This research used density functional theory (DFT)-based simulation software to investigate the potential of emerging nanotechnology to alter the physical{\^a}??chemical interactions of a reservoir system so that a favourable condition for oil displacement could be created. This reservoir was modelled using sandstone (as rock), oil (as any of the hydrocarbon molecules including Decane, Dodecene, Tetradecene and Hexadecene), a particular type of nanoparticles (graphene (GNPs), magnetite (MNPs), zinc oxide (ZNPs), copper oxide (CNPs)) and sodium chloride (NaCl) for nanofluid. From the analysis of adsorption results, we observed that oil adsorption can be reduced to {\^a}??18.81 from {\^a}??28.53 Kcal/mol. This was the case for the MNPs in the absence of NaCl. In the presence of NaCl, GNPs showed better performance than others. Arguably, salinity is thus an important factor contributing to the performance of nanofluid as an enhanced oil recovery agent or specifically a wettability modifier. The main mechanisms of the enhanced changes are assumed to be the inhibition of oil adsorption and the profile control capability of GNPs. {\^A}{\copyright} 2023 Informa UK Limited, trading as Taylor \& Francis Group.},
             url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85180167800&doi=10.1080\%2f08927022.2023.2293182&partnerID=40&md5=f4d316fb3d5c75598418fe7ca1b38be3},
        keywords = {Adsorption; Computer software; Copper oxides; Density functional theory; Enhanced recovery; II-VI semiconductors; Magnetite; Molecules; Monte Carlo methods; Nanofluidics; Sandstone; Sodium chloride; Zinc oxide, Adsorption energies; Adsorption energy and enhanced oil recovery; Density-functional-theory; Dynamics simulation; Enhanced-oil recoveries; Monte Carlo dynamics; Nanofluids; Performance; Physical chemical interaction; Simulation software, Wetting}
}