Experimental Investigation and DFT-Based Modeling of a Novel Schiff Base Derivative as a Corrosion Inhibitor for Mild Steel in Acidic Medium

K. Pruthviraj

Department of Chemistry, SSIT, Sri Siddhartha Academy of Higher Education, Tumakuru-572105, Karnataka, India.

K. Sunil *

Department of Chemistry, SSIT, Sri Siddhartha Academy of Higher Education, Tumakuru-572105, Karnataka, India.

B. S. Chethan

Department of Physics, SSIT, Sri Siddhartha Academy of Higher Education Tumakuru-572105, Karnataka, India.

N. K. Lokanath

Department of Studies in Physics, Manasagangotri, University of Mysore, Mysuru-570006, Karnataka, India.

N. Narayana Hebbar

Department of PG Studies and Research in Chemistry, Sri Dharmasthala Manjunatheshwara College (Autonomous), Ujire-574240, Karnataka, India.

*Author to whom correspondence should be addressed.


Abstract

Corrosion of mild steel in acidic environments remains a practical concern, motivating the evaluation of organic compounds that may reduce metal dissolution. This study investigated the corrosion-inhibition behaviour of a halogenated Schiff base derivative, (E)-N-(2,4-dichlorobenzylidene)-4-(2,2,2-trifluoroethoxy)aniline (PSB), synthesised through bovine serum albumin-catalysed condensation in an aqueous medium. The synthesised compound was characterised by proton and carbon-13 nuclear magnetic resonance spectroscopy. Its performance as an inhibitor for mild steel in 1 M hydrochloric acid was assessed at 303 K by Tafel polarisation and electrochemical impedance spectroscopy (EIS). The polarisation results showed a decrease in corrosion current density with increasing inhibitor concentration. EIS measurements indicated an increase in polarisation resistance from 9 Ω cm² in the uninhibited solution to 65 Ω cm² at 20 ppm PSB, accompanied by a decrease in double-layer capacitance from 23.5 to 9.5 μF cm⁻². The maximum EIS inhibition efficiency reported was 86.2% at 20 ppm. Density functional theory calculations were also used to examine the electronic descriptors of PSB. The reported HOMO and LUMO energies were −6.183 and −2.327 eV, respectively, with a reported energy gap of 3.856 eV. The electrochemical trends and calculated molecular descriptors are consistent with adsorption-associated inhibition at the mild steel–acid interface. These findings indicate corrosion-inhibition potential for PSB under the specific laboratory conditions investigated.

Keywords: Schiff base, corrosion inhibition, Tafel polarization method, AC impedance method, density functional theory


How to Cite

Pruthviraj, K., K. Sunil, B. S. Chethan, N. K. Lokanath, and N. Narayana Hebbar. 2026. “Experimental Investigation and DFT-Based Modeling of a Novel Schiff Base Derivative As a Corrosion Inhibitor for Mild Steel in Acidic Medium”. Asian Journal of Applied Chemistry Research 17 (4):180-89. https://doi.org/10.9734/ajacr/2026/v17i4437.

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