Physisorption or chemisorption: Insight from AI computing model based on DFT, MC/MD-simulation for prediction of MOF-based inhibitor adsorption on Cu in brine solution
Nkechinyere Amaka ChikaodiliDepartment of Chemical Engineering, Alex Ekwueme Federal University Ndufu Alike, PMB 1010, Abakakili, Ebonyi State, NigeriaCyril Sunday UmeDepartment of Chemical Engineering, Alex Ekwueme Federal University Ndufu Alike, PMB 1010, Abakakili, Ebonyi State, NigeriaPatrick Chukwudi NnajiDepartment of Chemical Engineering, Michael Okpara University of Agriculture, PMB 7267, Umudike, Abia State, NigeriaNkem B. IrohaElectrochemistry and Material Science Unit, Department of Chemistry, Federal University Otuoke, P.M.B. 126, Yenagoa, Bayelsa State, NigeriaOmar DagdagDepartment of Mechanical Engineering, Gachon University, Seongnam 13120, Republic of KoreaJoseph Okechukwu EzeugoDepartment of Chemical Engineering, Alex Ekwueme Federal University Ndufu Alike, PMB 1010, Abakakili, Ebonyi State, NigeriaAbhinay ThakurDepartment of Research Impact and Outcome, Division of Research and Development Cell, Lovely Professional University, Punjab 144411, IndiaValentine Chikaodili AnadebeDepartment of Chemical Engineering, Alex Ekwueme Federal University Ndufu Alike, PMB 1010, Abakakili, Ebonyi State, NigeriaOkechukwu Dominic OnukwuliDepartment of Chemical Engineering, Nnamdi Azikwe University, PMB 5025, Awka, Anambra State, Nigeria
2024en
ABI
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