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A Combined Experimental and Computational (DFT, RDF, MC and MD) Investigation of Epoxy Resin as a Potential Corrosion Inhibitor for Mild Steel in a 0.5 M H2SO4 Environment

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Al-Azhar University – Gaza
Hsissou R.; Dahmani K.; El Magri A.; Hmada A.; Safi Z.; Dkhireche N.; Galai M.; Wazzan N.; Berisha A.
Hsissou, Rachid (57193233249); Dahmani, Khadija (57189904012); El Magri, Anouar (57209211407); Hmada, Abdelfettah (58165088600); Safi, Zaki (16199979600); Dkhireche, Nadia (35271573500); Galai, Mouhsine (55867997200); Wazzan, Nuha (36155094500); Berisha, Avni (6602750115)
57193233249; 57189904012; 57209211407; 58165088600; 16199979600; 35271573500; 55867997200; 36155094500; 6602750115
2023
Polymers
A Combined Experimental and Computational (DFT, RDF, MC and MD) Investigation of Epoxy Resin as a Potential Corrosion Inhibitor for Mild Steel in a 0.5 M H2SO4 Environment
15
8
MDPI
1967
Laboratory of Organic Chemistry, Bioorganic and Environment, Chemistry Department, Faculty of Sciences, Chouaib Doukkali University, BP 20, El Jadida, 24000, Morocco; Laboratory of Organic Chemistry, Catalysis and Environment, Department of Chemistry, Faculty of Sciences, Ibn Tofail University, BP 242, Kenitra, 14000, Morocco; Euromed Polytechnic School, Euromed Research Center, Euromed University of Fes, Fès, 30000, Morocco; Laboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofail University, BP 242, Kenitra, 14000, Morocco; Chemistry Department, Faculty of Science, Al Azhar University-Gaza, BP 1277, Gaza, Palestine; Chemistry Department, Faculty of Science, King Abdulaziz University, BP 42805, Jeddah, 21589, Saudi Arabia; Department of Chemistry, Faculty of Natural and Mathematics Science, University of Prishtina, Prishtina, Kosovo, 10000
Hsissou R., Laboratory of Organic Chemistry, Bioorganic and Environment, Chemistry Department, Faculty of Sciences, Chouaib Doukkali University, BP 20, El Jadida, 24000, Morocco; Dahmani K., Laboratory of Organic Chemistry, Catalysis and Environment, Department of Chemistry, Faculty of Sciences, Ibn Tofail University, BP 242, Kenitra, 14000, Morocco; El Magri A., Euromed Polytechnic School, Euromed Research Center, Euromed University of Fes, Fès, 30000, Morocco; Hmada A., Laboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofail University, BP 242, Kenitra, 14000, Morocco; Safi Z., Chemistry Department, Faculty of Science, Al Azhar University-Gaza, BP 1277, Gaza, Palestine; Dkhireche N., Laboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofail University, BP 242, Kenitra, 14000, Morocco; Galai M., Laboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofail University, BP 242, Kenitra, 14000, Morocco; Wazzan N., Chemistry Department, Faculty of Science, King Abdulaziz University, BP 42805, Jeddah, 21589, Saudi Arabia; Berisha A., Department of Chemistry, Faculty of Natural and Mathematics Science, University of Prishtina, Prishtina, Kosovo, 10000
R. Hsissou; Laboratory of Organic Chemistry, Bioorganic and Environment, Chemistry Department, Faculty of Sciences, Chouaib Doukkali University, El Jadida, BP 20, 24000, Morocco; email: hsissou.r@ucd.ac.ma
97
10.3390/polym15081967
corrosion inhibitor; DFT calculation; MC and MD simulations; MS/0.5 M H<sub>2</sub>SO<sub>4</sub>; PDP/EIS techniques; SEM/EDS analyses; TGP epoxy resin
Density functional theory; Electrochemical corrosion; Electrochemical impedance spectroscopy; Electrodes; Energy dispersive spectroscopy; Epoxy resins; Low carbon steel; Scanning electron microscopy; Steel corrosion; 2,3,4,5-tetraglycidyloxy pentanal epoxy resin; DFT calculation; Electrochemical impedance spectroscopy techniques; M.C. simulation; MC simulation; MD simulation; Mild steel/0.5 M H2SO4; Potentiodynamic polarization/electrochemical impedance spectroscopy technique; Potentiodynamics polarization; Scanning electron microscopy/EDS analyze; Corrosion inhibitors