Corrosion inhibition of mild steel by aminobenzoic acid isomers in hydrochloric acid solution: Efficiency and adsorption mechanisms

Autor:	M. Hilali, Aaziz Jmiai, Abdelaziz Ait Taleb, Souad El Issami, Majdi Hochlaf, Ridha Ben Said, Khalid Abbiche, Abdallah Imjjad, I. Bazzi, Noureddine El Baraka, Moulay Driss Mellaoui
Rok vydání:	2022
Předmět:	Work (thermodynamics) Monte Carlo method Inorganic chemistry General Physics and Astronomy Protonation Hydrochloric acid Surfaces and Interfaces General Chemistry Condensed Matter Physics Surfaces Coatings and Films Corrosion chemistry.chemical_compound Adsorption chemistry Aminobenzoic acid
Zdroj:	Applied Surface Science. 576:151780
ISSN:	0169-4332
DOI:	10.1016/j.apsusc.2021.151780
Popis:	Ortho-, meta- and para-aminobenzoic acid (ABA) in hydrochloric acid solution are used as mild steel corrosion inhibitors. Modeled as gas-solid and acidic aqueous-solid interfaces, we investigate their performance and adsorption mechanisms using first principles methodologies and Monte Carlo simulations. Computations show that both neutral and protonated ABAs exhibit spontaneous adsorption on Fe(1 1 0) surface, which is dominated by weak interactions. We observed an inhibition efficiency isomeric effect, as established experimentally. Therefore, our work should motivate the extensive use of computational modelling and chemical reactivity indices for in-depth studies of corrosion inhibition of metals by organic compounds as those employed in industries.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::5e086fe69850f7f3da1e0ff82b82ebb8 https://doi.org/10.1016/j.apsusc.2021.151780 Zobrazit plný text záznamu Full Text from ScienceDirect