Correlated experimental and theoretical study on inhibition behavior of novel quinoline derivatives for the corrosion ofmild steel in hydrochloric acid solution

Lgaz, Hassane and Salghi, Rachid and Bhat, Subrahmanya K and Chaouiki, Abdelkarim and Shubhalaxmi, . and Jodeh, Shehdeh (2017) Correlated experimental and theoretical study on inhibition behavior of novel quinoline derivatives for the corrosion ofmild steel in hydrochloric acid solution. Journal of Molecular Liquids, 244 (1). pp. 154-168. ISSN 0167-7322

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Abstract

The corrosion inhibition properties of three quinoline derivatives namely, 2,6-dichloroquinoline-3-carbaldehyde (QA-1), 2-chloro-6-nitroquinoline-3-carbaldehyde (QA-2) and 2,6-dichloro-8-nitroquinoline-3-carbaldehyde (QA-3) for mild steel (MS) in 1.0 M HCl at 303 K were studied by using electrochemical techniques, the density functional theory and molecular dynamic simulations. Experimentally obtained results showed that the quinoline derivatives are excellent inhibitors and that their adsorption on metal surface was found to follow that of the Langmuir adsorption model. Electrochemical findings revealed that quinoline derivatives behave as mixedtype inhibitors. These inhibitors increased the polarization resistance and simultaneously lowered the double layer capacitance, thereby confirming their high potentialities to protect metal against dissolution. Surface morphology of the MS surface in both the absence and presence of quinoline derivatives was examined using Scanning ElectronMicroscopy (SEM) and Atomic Force Microscopy (AFM). The mechanismof inhibition action of the studied quinolines was discussed in the light of the DFT and molecular dynamic (MD) simulations studies. New insights were brought by a diffusion model and radial distribution function (RDF). Theoretical results agree well with the experimental results.

Item Type: Article
Uncontrolled Keywords: Molecular dynamic simulation; Corrosion inhibition; Diffusion
Subjects: Engineering > MIT Manipal > Chemistry
Depositing User: MIT Library
Date Deposited: 21 Sep 2017 10:51
Last Modified: 21 Sep 2017 10:51
URI: http://eprints.manipal.edu/id/eprint/149723

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