Towards a Deeper Understanding of the Anticorrosive Properties of Hydrazine Derivatives in Acid Medium: Experimental, DF
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RODUCTION
FERROUS alloys are extensively applied in industries such as the petrochemical and construction industries.[1–3] Most industrial environments are highly corrosive to these alloys during some common industrial processes such as acidic cleaning, acid descaling, and oil well acidifications.[4,5] In order to prevent the undesirable effects of acid washing used in many industrial fields and to minimize excessive metal corrosion, the addition of corrosion inhibitors was used. This was found to be the most convenient and cost-effective approach to improve the corrosion resistance of metals.[6,7] Generally, inhibition efficiency depends on the
A. BOUOIDINA, F. EL-HAJJAJI, and M. TALEB are with the Laboratory of Engineering, Electrochemistry, Modeling and Environment, Faculty of Sciences, University sidi Mohamed Ben Abdellah, Fez, Morocco. M. DRISSI is with the Laboratory of Materials Chemistry and Bio-technology of Naturals Products, Faculty of Sciences, University Moulay Ismail, Meknes, Morocco. B. HAMMOUTI is with the LC2AME, Faculte´ des Sciences, Universite´ Mohammed Premier, BP 717, Oujda, Morocco. ILL-MIN CHUNG and H. LGAZ are with the Department of Applied Bioscience, College of Life & Environment Science, Konkuk University, 120 Neungdong-ro, Gwangjin-gu, Seoul 05029, South Korea. Contact e-mails: [email protected]; [email protected] S. JODEH is with the Department of Chemistry, An-Najah National University, P. O. Box 7, Nablus, State of Palestine. Manuscript submitted March 23, 2018.
METALLURGICAL AND MATERIALS TRANSACTIONS A
existence of certain physicochemical characteristics, for example, the chemical structure (presence of donor heteroatom, i.e., nitrogen, oxygen, sulfur, phosphor, double and triple bonds and aromatic rings), the electronic distribution, planar form, and the chemical composition of the solution.[8–11] In many cases, obtaining microscopic detail by conventional experimental techniques proves to be impossible. The veritable explosion of computer resources that has been under way for some 10 years, and the development of powerful algorithms, has made possible the study of corrosion inhibition process by the methods of theoretical chemistry. MD simulations are particularly well poised to investigate the structure of the corrosion inhibitors and the mechanism of inhibition at an atomic level under a variety of conditions.[4] In addition, density functional theory (DFT) is one of the most popular methods used to explain the experimental results and to correlate the calculated corrosion inhibition performances with molecular structure and quantum chemical parameters like the energies of highest occupied molecular orbital (EHOMO), the lowest unoccupied molecular orbital (ELUMO), the energy difference between EHOMO and ELUMO, and the fraction of electrons transferred (DN).[12] In this study, weight loss measurements, potentiodynamic polarization, and electrochemical impedance spectroscopy have been successfully used for the analysis of the anti-corrosive efficiency of novel hydrazine derivatives
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