Gravimetric and Quantum Chemical Approach of Nifuroxazid as Inhibitor of Aluminium Corrosion In 2.0 M HCl

Cissé M’bouillé^1, , Mougo André Tigori¹, Assoman Kouakou Alain¹, Amadou Kouyaté¹ and Paulin Marius Niamien²

¹Laboratoire des Sciences et Technologies de l’Environnement, UFR Environnement, Université Jean Lorougnon Guédé, Daloa, Côte d’Ivoire

²Laboratoire de Constitution et de Réaction de la Matière, UFR SSMT, Université Félix Houphouët-Boigny, Abidjan, Côte d’Ivoire

Cite this paper:
Cissé M’bouillé, Mougo André Tigori, Assoman Kouakou Alain, Amadou Kouyaté and Paulin Marius Niamien. Gravimetric and Quantum Chemical Approach of Nifuroxazid as Inhibitor of Aluminium Corrosion In 2.0 M HCl. Journal of Materials Physics and Chemistry. 2024; 12(1):1-10. doi: 10.12691/jmpc-12-1-1

Abstract

Corrosion is a phenomenon that needs to be monitored with great care, as it is becoming more widespread in many areas. The present work was carried out to test 4-hydroxy-N-[(5-nitrofuran-2-yl) methylene] or nifuroxazid as a corrosion inhibitor for aluminium corrosion in 2M HCl. This work was evaluated by mass loss technique and quantum chemical calculations. The results show that this compound has a good inhibition capacity in medium studied. Compound inhibition efficiency decreases with increasing temperature, while increasing compound concentration is accompanied by a decrease in corrosion rate and thus an increase in inhibition efficacy. Isotherms adsorption study shows that inhibitor adsorbs on aluminium surface according to the modified Langmuir model. Thermodynamic values for adsorption and activation show that adsorption is spontaneous and exothermic, with an increase in disorder. The adsorption process was found to combine chemical and physical adsorption, with physisorption predominating. The mechanism of inhibition was explained by quantum chemical parameters derived from density functional theory (DFT) calculations, and reactivity sites determination which to identify electrophilic and nucleophilic centers of attack.

Keywords:
nifuroxazid corrosion aluminium mass loss technique density functional theory

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