Newly synthesized quaternary ammonium bis-cationic surfactant utilized for mitigation of carbon steel acidic corrosion; theoretical and experimental investigations

• Published in: Journal of molecular structure 2022-08, Vol.1262, p.133063, Article 133063
• Main Authors: El-Tabei, A.S., El-Azabawy, O.E., El Basiony, N.M., Hegazy, M.A.
• Format: Article
• Language: English
• Subjects: AFM; Bis-cationic surfactant; DFT & MC calculations; Electrochemical measurements; SEM; Surface-active parameters
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2022.133063

•QABCS compound was synthesized and characterized via various spectral techniques.•The corrosion techniques used suggest the QABCS has the adsorption ability over CS.•The formation of a protective film explained the higher in η% and rct values.•QABCS concerns an inhibitor of a mixed sort according to tafel data.•QABCS' adsorption ability on CS was verified by DFT& MC as well as AFM & SEM data. New quaternary ammonium bis-cationic surfactant namly; 4,4′-(((1Z,5Z)-pentane-1,5-diylidene)bis(azaneylylidene))bis(1-dodecyl-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-1-ium bromide (QABCS) was synthesized and characterized via various spectral techniques. Surface tension measurements were performed for the investigation of surface-active parameters. QABCS's effectiveness as a corrosion inhibitor for carbon steel (CS) in 1.0 M HCl was evaluated using a variety of techniques. Inhibition potency progresses via rising QABCS dose while decreases with the temperature increasing. QABCS boosts the impedance of CS corrosion via 94.67% at 1 × 10−3 M. In addition, QABCS adsorption is consistent with Langmuir dsorption isotherm model. QABCS regards a mixed-type inhibitor. The explanation of density-functional theory (DFT) and Monte Carlo (MC) findings shows that the QABCS compound has a high adsorption potential on CS surface due to active centers in the QABCS' molecular structure. According to the scanning electron microscope (SEM) and atomic force microscope (AFM) findings, QABCS creates a shielding layer over carbon steel substrate. Theoretical discussions, as well as SEM and AFM findings, are compatible with laboratory corrosion assessment studies. [Display omitted]