Study of expired Fuclo 500 drug as an environmentally sustainable corrosion inhibitor

Aphouet Aurelie Koffi; N'guadi Blaise Allou; Mougo Andre Tigori; Teminfolo Yaya Soro; Albert Trokourey; Paulin Marius Niamien

doi:10.5155/eurjchem.14.3.353-361.2443

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Published: Sep 30, 2023

DOI: https://doi.org/10.5155/eurjchem.14.3.353-361.2443

Keywords:

DFT, Aluminium, Flucloxacillin, Hydrochloric acid, Weight loss method, Corrosion inhibition

Section

Research Article

Issue

Vol. 14 No. 3 (2023): September 2023

Dates

Received 2023-04-25
Accepted 2023-05-16
Published 2023-09-30

Aphouet Aurelie Koffi

Laboratoire de Constitution et Réaction de la Matière, Unité de Formation et de Recherche des Sciences des Structures de la Matière et de Technologie, Université Félix Houphouët Boigny, Abidjan, Côte d’Ivoire

https://orcid.org/0000-0003-2306-7593

N'guadi Blaise Allou

https://orcid.org/0000-0002-4367-2128

Mougo Andre Tigori

Laboratoire des Sciences et Technologies de l’Environnement, Unité de Formation et de Recherche Environnement, Université Jean Lorougnon Guédé, Daloa, Côte d’Ivoire

https://orcid.org/0000-0002-3722-7896

Teminfolo Yaya Soro

https://orcid.org/0009-0001-1494-7452

Albert Trokourey

https://orcid.org/0000-0001-7139-5976

Paulin Marius Niamien

https://orcid.org/0000-0002-0744-9623

Abstract

This work deals with aluminium corrosion inhibition by expired drugs containing flucloxacillin in 1 M hydrochloric acid medium, using the gravimetric method and density functional theory. Weight loss results showed that the inhibitory efficiency of this compound increases with concentration and decreases with increasing temperature. The study also indicates that this molecule is adsorbed according to the modified Langmuir model (Villamil model). Furthermore, the thermodynamic parameters of adsorption (∆G^o_ads, ∆H^o_ads, ∆S^o_ads) and activation (E_a*, ΔH_a*, ΔS_a*) show that the adsorption is mixed type (chemisorption and physisorption). In addition, density functional theory provides access to the quantum chemical parameters of the molecule such as the lowest vacant orbital energy (E_LUMO), the highest occupied orbital energy (E_HOMO), the absolute electronegativity (χ), the global hardness (η), the global softness (S), the fraction of transferred electrons (ΔN) as well as the electrophilicity index (ω) for finding correlation between the inhibitor structure and the experimental data.

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Koffi, A. A.; Allou, N. B.; Tigori, M. A.; Soro, T. Y.; Trokourey, A.; Niamien, P. M. Study of Expired Fuclo 500 Drug As an Environmentally Sustainable Corrosion Inhibitor. Eur. J. Chem. 2023, 14, 353-361.

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