Effect of stereochemical conformation into the corrosion inhibitive behaviour of double azomethine based Schiff bases on mild steel surface in 1 mol L−1 HCl medium: An experimental, density functional theory and molecular dynamics simulation study

Murmu, Manilal and Saha, Sourav Kr. and Murmu, Naresh Chandra and Banerjee, Priyabrata (2019) Effect of stereochemical conformation into the corrosion inhibitive behaviour of double azomethine based Schiff bases on mild steel surface in 1 mol L−1 HCl medium: An experimental, density functional theory and molecular dynamics simulation study. Corrosion Science, 146. pp. 134-151.

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Abstract

Two hitherto unexplored double condensed Schiff bases, namely, 4-(4-((Pyridin-2-yl)methyleneamino)phenoxy)-N-((pyridin-2-yl)methylene)benzenamine (PMB) and 4-(4-(4-((Pyridin-2-yl)methyleneamino)phenoxy)phenoxy)-N-((pyridin-2-yl)methylene)benzenamine (PPMB) were synthesized and their corrosion inhibitive performances on mild steel have been investigated in 1 mol L−1 HCl medium by gravimetric and electrochemical measurements. Field emission scanning electron microscopy, energy dispersive X-ray spectroscopy and atomic force microscopy affirmed the formation of protective films on mild steel surfaces. Contact angle measurement revealed the hydrophobic nature of surface modified by the inhibitor molecules applied in the corrosive solution. The influence of molecular configuration in corrosion inhibition behaviour of inhibitors has been explored by DFT, DFTB calculation and MD simulation.

Item Type:	Article
Subjects:	Chemistry
Depositing User:	Dr. Arup Kr. Nandi
Date Deposited:	10 Nov 2020 13:16
Last Modified:	10 Nov 2020 13:16
URI:	http://cmeri.csircentral.net/id/eprint/620

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