The inhibitory action of 3-phenyl-isoxazoline-carvone on carbon steel in HCl solution was investigated experimentally and theoretically

For carbon steel (CS) in a corrosive hydraulic acid solution, various quantities of the molecule 3-phenyl-isoxazoline-carvone (PIC) were employed (1M; HCL). The inhibitory effects of the 3-phenyl-isoxazoline-carvone (PIC) were evaluated by electrochemical impedance spectroscopy (EIS), potentiodynami...

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Published in:	Journal of adhesion science and technology Vol. 36; no. 21; pp. 2346 - 2367
Main Authors:	Elqars, Esseddik, Hachim, Mouhi Eddine, Oubella, Ali, Byadi, Said, Bahsis, Lahoucine, Auhmani, Aziz, Guennoun, Mohamed, Essadki, Abdelhafid, Ait Itto, My Youssef, Nbigui, Taibi
Format:	Journal Article
Language:	English
Published:	Utrecht Taylor & Francis 02-11-2022 Taylor & Francis Ltd
Subjects:	3-Phenyl-isoxazoline-carvone Carbon steel Carbon steels Chemisorption Corrosion Corrosion inhibitors Corrosion mechanisms corrosion-inhibition density functional theory Electrochemical impedance spectroscopy electrochemical- measurements Molecular dynamics Protective coatings Quantum chemistry Radial distribution Simulation Weight loss
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Abstract	For carbon steel (CS) in a corrosive hydraulic acid solution, various quantities of the molecule 3-phenyl-isoxazoline-carvone (PIC) were employed (1M; HCL). The inhibitory effects of the 3-phenyl-isoxazoline-carvone (PIC) were evaluated by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), weight loss, surface morphology analysis (SEM), quantum chemical calculations (DFT), and Monte Carlo simulations (MC). According to the findings, the compound, 3-phenyl-isoxazoline-carvone (PIC) is a mixed-type inhibitor that significantly decreased the rate of carbon steel (CS) corrosion by creating a protective coating on the carbon steel surface (CS). According to EIS, PDP, and mass loss studies, the molecule 3-phenyl-isoxazoline-carvone (PIC) is a stronger corrosion inhibitor, with corrosion effectiveness of about 95% at 298 K temperature. Adsorption of the 3-phenyl-isoxazoline-carvone (PIC) molecule on the surface of carbon steel includes both physisorption and chemisorption, according to the Langmuir isotherm model. Aside from experimental methods, theoretical methods such as DFT simulations, molecular dynamics simulations, and the radial distribution method were used to provide detailed knowledge about the mechanism of corrosion inhibition and to reveal factors controlling the efficiency of the investigated inhibitor.
AbstractList	For carbon steel (CS) in a corrosive hydraulic acid solution, various quantities of the molecule 3-phenyl-isoxazoline-carvone (PIC) were employed (1M; HCL). The inhibitory effects of the 3-phenyl-isoxazoline-carvone (PIC) were evaluated by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), weight loss, surface morphology analysis (SEM), quantum chemical calculations (DFT), and Monte Carlo simulations (MC). According to the findings, the compound, 3-phenyl-isoxazoline-carvone (PIC) is a mixed-type inhibitor that significantly decreased the rate of carbon steel (CS) corrosion by creating a protective coating on the carbon steel surface (CS). According to EIS, PDP, and mass loss studies, the molecule 3-phenyl-isoxazoline-carvone (PIC) is a stronger corrosion inhibitor, with corrosion effectiveness of about 95% at 298 K temperature. Adsorption of the 3-phenyl-isoxazoline-carvone (PIC) molecule on the surface of carbon steel includes both physisorption and chemisorption, according to the Langmuir isotherm model. Aside from experimental methods, theoretical methods such as DFT simulations, molecular dynamics simulations, and the radial distribution method were used to provide detailed knowledge about the mechanism of corrosion inhibition and to reveal factors controlling the efficiency of the investigated inhibitor.
Author	Byadi, Said Oubella, Ali Elqars, Esseddik Ait Itto, My Youssef Auhmani, Aziz Hachim, Mouhi Eddine Guennoun, Mohamed Nbigui, Taibi Essadki, Abdelhafid Bahsis, Lahoucine
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SubjectTerms	3-Phenyl-isoxazoline-carvone Carbon steel Carbon steels Chemisorption Corrosion Corrosion inhibitors Corrosion mechanisms corrosion-inhibition density functional theory Electrochemical impedance spectroscopy electrochemical- measurements Molecular dynamics Protective coatings Quantum chemistry Radial distribution Simulation Weight loss
Title	The inhibitory action of 3-phenyl-isoxazoline-carvone on carbon steel in HCl solution was investigated experimentally and theoretically
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