L-Alanine methyl ester nitrate ionic liquid: synthesis, characterization and anti-corrosive application

The inhibition effect of amino acid-based ionic liquid (IL), L-Alanine methyl ester nitrate referred to as L-AlaC(1)NO(3) IL on the corrosion of mild steel (MS) in 1 M HCl was investigated by weight loss and electro-chemical measurements at temperatures ranging from 30 degrees C to 60 degrees C. The percentage inhibition effieicency increased with the increase of the concentration of the inhibitor and reached about 66.1% at the concentration of 0.003 M at 30 degrees C. On the other hand, the percentage inhibition increased with the increase of temperature and reached 84.0% at 60 degrees C on the same inhibitor concentration. Furthermore, the contact angle measurement and surface studies revealed water-repelling property and the protecting capability of the investigated inhibitor. The electronic property of L-AlaC(1)NO(3) IL has been explored using density functional theory (DFT) and the sites susceptible for electron sharing were identified through Fukui indices analysis. Additionally, the Monte Carlo approach in molecular dynamics simulation evidenced the spontaneity of inhibitor's interaction onto MS surface through donor-acceptor interactions leading towards flat-lying adsorption orientation. (C) 2021 Elsevier B.V. All rights reserved.

Automated summary

The study investigated the corrosion inhibition effect of amino acid-based ionic liquid on mild steel in 1 M HCl. The results showed that the inhibition efficiency increased with higher inhibitor concentration and temperature, with water-repelling properties and protective capabilities. The electronic properties of the IL were explored through density functional theory, highlighting sites susceptible to electron sharing, and molecular dynamics simulation supported the spontaneous interaction of the inhibitor onto the steel surface.