Adsorption Mechanism of Eco-Friendly Corrosion Inhibitors for Exceptional Corrosion Protection of Carbon Steel: Electrochemical and First-Principles DFT Evaluations
Abdelkarim Chaouiki,
Maryam Chafiq,
Young Gun Ko,
Aisha H. Al-Moubaraki,
Fatima Zahra Thari,
Rachid Salghi,
Khalid Karrouchi,
Khalid Bougrin,
Ismat H. Ali,
Hassane Lgaz
Affiliations
Abdelkarim Chaouiki
Materials Electrochemistry Laboratory, School of Materials Science and Engineering, Yeungnam University, Gyeongsan 38541, Korea
Maryam Chafiq
Materials Electrochemistry Laboratory, School of Materials Science and Engineering, Yeungnam University, Gyeongsan 38541, Korea
Young Gun Ko
Materials Electrochemistry Laboratory, School of Materials Science and Engineering, Yeungnam University, Gyeongsan 38541, Korea
Aisha H. Al-Moubaraki
Department of Chemistry, Faculty of Sciences—Alfaisaliah Campus, University of Jeddah, Jeddah 21589, Saudi Arabia
Fatima Zahra Thari
Equipe de Chimie des Plantes et de Synthèse Organique et Bioorganique, URAC23, Faculty of Science, B.P. 1014, Geophysics, Natural Patrimony and Green Chemistry (GEOPAC) Research Center, Mohammed V University, Rabat 10100, Morocco
Rachid Salghi
Laboratory of Applied Chemistry and Environment, ENSA, University Ibn Zohr, P.O. Box 1136, Agadir 80000, Morocco
Khalid Karrouchi
Laboratory of Analytical Chemistry and Bromatology, Faculty of Medicine and Pharmacy, Mohamed V University, Rabat 10100, Morocco
Khalid Bougrin
Equipe de Chimie des Plantes et de Synthèse Organique et Bioorganique, URAC23, Faculty of Science, B.P. 1014, Geophysics, Natural Patrimony and Green Chemistry (GEOPAC) Research Center, Mohammed V University, Rabat 10100, Morocco
Ismat H. Ali
Department of Chemistry, College of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia
Hassane Lgaz
Innovative Durable Building and Infrastructure Research Center, Center for Creative Convergence Education, Hanyang University ERICA, 55 Hanyangdaehak-ro, Sangrok-gu, Ansan-si 15588, Korea
In the present work, we represent two thiazolidinediones, namely (Z)-5-(4-methoxybenzylidene) thiazolidine-2,4-dione (MeOTZD) and (Z)-5-(4-methylbenzylidene) thiazolidine-2,4-dione (MeTZD), as corrosion inhibitors for carbon steel (CS) in 1.0 M HCl solution. Techniques for gravimetric methods, electrochemical measurements, and morphological characterization were used to conduct experimental evaluations. Additionally, calculations based on the fundamental principles of Density Functional Theory (DFT) were employed to simulate inhibitor–iron interactions. Experimental results indicated that investigated inhibitors can significantly enhance the corrosion resistance of CS, reaching a performance of 95% and 87% at 5 × 10−3 mol/L of MeOTZ and MeTZD, respectively. According to gravimetric and electrochemical experiments, inhibitor molecules obstruct corrosion reactions by adhering to the CS surface, which follows the Langmuir isotherm model. On the other hand, the morphological analysis showed a well-distinguished difference between unprotected and protected CS surfaces as a result of the inhibitors’ addition to HCl. Projected density of states and interaction energies obtained from first-principles DFT simulations indicate that the studied molecules form covalent bonds with iron atoms through charge transfer.
