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

Abstract

Abstract The inhibition effect of amino acid-based ionic liquid (IL), L-Alanine methyl ester nitrate referred to as L-AlaC1NO3 IL on the corrosion of mild steel (MS) in 1\xa0M HCl was investigated by weight loss and electrochemical measurements at temperatures ranging from 30\xa0°C to 60\xa0°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\xa0M at 30\xa0°C. On the other hand, the percentage inhibition increased with the increase of temperature and reached 84.0% at 60\xa0°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-AlaC1NO3 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.