Synthesis and evaluation of N,N′-((2R,2′R)-(succinylbis(oxy))bis(2-hydroxypropane-3,1-diyl))bis(N,N-dimethyltetradecan-1-aminium)dibromide as an inhibitor against carbon steel corrosion: implementation of adsorption methodology using Fermi energy and Monte Carlo simulation

• M.J. Meften

Department of Chemistry, College of Education-Qurna, University of Basrah, Basra 61001, Iraq

Abstract: N,N′-((2R,2′R)-(Succinylbis(oxy))bis(2-hydroxypropane-3,1-diyl))bis(N,N-dimethyltetradecan-1-aminium)dibromide (SHBA) was prepared, tested, and evaluated as an inhibitor for N-80 carbon steel used in oil and gas transmission and down-hole pipelines. It was tested in a 0.5 mol·L^–1 HCl solution at 30°C (±2). The SHBA was assessed as an inhibitor using potentiodynamic polarization (PP), electrochemical impedance spectroscopy (EIS), and scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM/EDX). The compound SHBA acts as a mixed-type inhibitor, as shown by EIS and PP results. It demonstrates excellent performance with maximum efficiencies of 93.63% and 93.04%, respectively. The EDX analysis showed an efficiency of 95.38%. The Monte Carlo method was used to determine the adsorption sites of SHBA on the carbon steel surface. MC explained the adsorption of oxygen and nitrogen atoms on the Fe (111) surface, confirming SHBA’s strong adsorption. The HOMO energy of SHBA is –6.022 eV, which is higher than the Fermi level energy of –0.8756 Ha (–28.188 eV), indicating stable adsorption. Metallic features were observed in SHBA from the maximum valence band and minimum conduction band. The electrostatic potential surface (EPS) and electronic characteristics of SHBA were studied. Theoretical results agree with the experimental findings.

Keywords: corrosion inhibitors, EIS, Fermi energy, adsorption methodology, SEM/EDX, Monte Carlo, Tafel plot

Int. J. Corros. Scale Inhib., 2026, 15, no. 1, 449-472
doi: 10.17675/2305-6894-2026-15-1-23

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