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Experimental and Computational Study of Ecofriendly Synthesize d Imine Cationic Surfactants as Corrosion Inhibitors for Carbon Steel in 1 M HCl

Experimentelle und computerge stützte Untersuchung von umweltfreundlich synthetisierten kationischen Imintensiden als Korrosionsinhibitoren für Kohlenstoffstahl in 1 M HCl
Eman A. Ghiaty, Dalia E. Mohamed, Emad A. Badr, Elshafie A. M. Gad, Elsayed A. Soliman and Ismail A. Aiad

Abstract

Most research interests focused on the development of non-toxic and environmentally green corrosion inhibitors. In this work, three environment friendly corrosion inhibitors based on cinnamaldehyde named N,N-dimethyl-N-(2-((3-phenylallylidene) amino)ethyl)octan-1-aminiumbromide (PhAEO), N,N-dimethyl-N-(2-((3-phenyl allylidene) amino)ethyl)decan-1-aminiumbromide (PhAED) and N,N-dimethyl-N-(2- ((3-phenylallylidene)amino)ethyl)dodecan-1-aminiumbromide (PhAEDD) were prepared. The chemical structures of the prepared green corrosion inhibitors were confirmed by FTIR and 1H-NMR. Their surface activities were studied using different surface parameters. The corrosi on inhibition efficiency of these compounds in 1 M hydrochloric acid on carbon steel was investigated chemically using weight loss method at varing temperatures (30, 45, and 60°C) and electrochemically at 30°C using potentiodynamic polarization measurements and electrochemical impedance spectroscopy. The carbon steel surface was characte rized by Scanning Electron Microscopy. The results show that the prepared compounds have a significant inhibiting effect on the corrosion of carbon steel and protection efficiencies up to 92%. These results were supported by theoretical studies using Density Functional Theory (DFT), which was used to calculate some quantum chemical descriptors, particularly the energy of Highest Occupied Molecular Orbital (EHOMO), Lowest Unoccupied Molecular Orbital (ELUMO) and the energy band gap ΔEgap. Fukui indices f+ and f for local nucleophilic and electrophilic attacks were considered. The theoretical results show that the behavior of the energy gap and adsorption energy is consistent with the sequence of the percent inhibition efficiency obtained by chemical and electrochemical measurements.

Kurzfassung

Die meisten Forschungsinteressen konzentrierten sich auf die Entwicklung ungiftiger und umweltfreundlicher Korrosionsinhibitoren. In dieser Arbeit wurden drei umweltfreundliche Korrosionsinhibitoren auf der Basis von Zimtaldehyd hergestellt: N,N-Dimethyl-N-(2-((3-Phenylallyliden)-amino)-ethyl)-octan-1-aminiumbromid (PhAEO); N,N-Dimethyl-N-(2-((3-Phenylall yliden)-amino)-ethyl)-decan-1-aminiumbromid (PhAED) und N,N-Di methyl-N-(2-((3-Phenylallyliden)-amino)-ethyl)-dodecan-1-aminiumbromid (PhAEDD). Die chemischen Strukturen der hergestellten grünen Korrosionsi nhibitoren wurden mit FTIR und 1H-NMR bestätigt. Zur Bestimun g ihrer Oberflächenaktivitäten wurden verschiedene Oberflächenparameter bestimmt. Die Korrosionsinhibierungseffizienz dieser Verbindungen in 1 M Salzsäure auf Kohlenstoffstahl wurde chemisch mit der Gewichtsverlustmethode bei verschiedenen Temperaturen (30°C, 45°C und 60°C) sowie elektrochemisch bei 30°C mit potentiodynamischen Polarisationsmessungen und der elektrochemischen Impedanzspektroskopie untersucht. Die Kohlenstoffstahloberfläche wurde mit einem Rasterelektronenmikrosk op charakterisiert. Die Ergebnisse zeigen, dass die hergestellten Verbindunge n eine signifikante Hemmwirkung auf die Korrosion von Kohlenstoffstahl und Schutzwirkungsgrade von bis zu 92% haben. Diese Ergebnisse wurden durch theoretische Studien unter Verwendung der Density Functional Theory (DFT) untermauert, mit deren Hilfe einige quantenchemische Deskriptore n, insbesondere die Energie des höchsten besetzten Molekülorbitals (EHOMO), des niedrigsten nicht besetzten Molekülorbitals (ELUMO) und die Energiebandlücke ΔEgap, berechnet wurden. Fukui-Indizes f+ und f für lokale nucleophile und elektrophile Attacken wurden berücksicht igt. Die theoretischen Ergebnisse zeigen, dass das Verhalten der Energielücke und der Adsorptionsenergie mit der Abfolge der prozentualen Inhibitions effizienz übereinstimmt, die durch chemische und elektrochemische Messungen erhalten wird.


Correspondence address, Assoc. Prof. Dr. Dalia E. Mohamed, Egyptian Petroleum Research Institute, 11727, Nasr City, Cairo, Egypt, E-Mail:

Eman Abdalrahman Ghiaty received her B.Sc. from Zagazig University (2008) and M.Sc. from Zagazig University (2013). She is presently researcher assistant at the Egyptian Petroleum Research Institute (Surfactants Laboratory). Her interests are focused on synthesis, properties and applications of new surfactants in several fields.

Dalia E. Mohamed received her B.Sc. and M.Sc. from Cairo University and Ph.D. from Ain Shams University. She is currently associate professor at the Egyptian Petroleum Research Institute (Surfactants Laboratory). Her research interests are in synthesis, properties and applications of new surfactants.

Emad Abdel Atty badr received the B.Sc. in Chemistry, 1998, Chemistry Department, Al-Azhar University and M.S c. in Physical Chemistry, 2002, Al-Azhar University and PhD in surfactant Science, 2010, Chemistry Department, Faculty of Science, Al-Azhar University. In 2007, he joined the Department of Petrochemicals surfactant Laboratory, Egyptian Petroleum Research Institute, as Assistant Researcher, and in 2010 became Researcher, surfactant Laboratory, Department of Petrochemicals. Since December 2015 till now Associate Professor, surfactant Laboratory, Department of Petrochemicals, Egyptian Petroleum Research Institute. He published 20 papers in fields of surfactant and corrosion inhibitor.

Elshafie A. Gad, Professor of Petrochemicals, Egyptian Petroleum Research Institute, Nasr City, Cairo, Egypt. My interests are surfactants applications, QsPr, computat ional chemistry and recently solid state kinetics.

El-Sayed Ahmed Soliman received his Ph.D. in organic chemistry from Ain Shams University in 1974. He has been Head of the Chemistry Department (Faculty of Science) at Ain Shams University since 2006, as well as a Professor in Houria Boume'die ne University for Science and Technology, Institute of Chemistry, Algeria, from 1986 to 1990.

Ismail Aiad received his Ph.D in 1998 in physical chemistry from the College of Science, Zagazig University, Egypt. He is currently a Professo r and the vice head of the Petrochemicals Department at the Egyptian Petroleu m Research Institute, Nasr City, Cairo, Egypt. He is a member of the board of directors of the Chemical Services and Development Center for Oil Field Chemicals, and consults for different petroleum companies.


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Received: 2019-03-21
Accepted: 2019-06-11
Published Online: 2020-01-23
Published in Print: 2020-01-21

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