화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Journal of Industrial and Engineering Chemistry, Vol.88, 382-395, August, 2020
DOI10.1016/j.jiec.2020.05.011  Export Citation
Construction of a zinc-centered metal-organic film with high anti-corrosion potency through covalent-bonding between the natural flavonoid-based molecules (Quercetin)/divalent-zinc: Computer modeling (integrated-DFT&MC/MD)/electrochemical-surface assessments
Ali Dehghani, Ghasem Bahlakeh†, Bahram Ramezanzadeh1, †, and Amir Hossein Mostafatabar
  • Department of Chemical Engineering, Faculty of Engineering, Golestan University, Aliabad Katoul, Iran
  • 1Department of Surface Coatings and Corrosion, Institute for Color Science and Technology, P.O. Box 16765-654, Tehran, Iran
E-mail:,
In the present work, for the first time, a series of unique zinc-centered metal.organic films with high anti-corrosion potency was fabricated on the steel surface through the covalent/non-covalent bonding/ interactions between the natural flavonoid based-molecules (Quercetin) and Zn2+/Fe2+ metal-cations. The visualized steel surface micro-scale microstructure by FE-SEM proved that the Quercetin:Zn based metal. organic film covered the metallic surface significantly. Also, the elemental analysis of the protected surfaces via GIXRD, EDS, and mapping experiments illustrated that the metal.organic compounds sufficiently adsorbed. Tafel curves achievements depicted that the Quercetin:Zn based metal.organic film could efficiently protect the iron surface via both O2 reduction/Fe oxidation mechanisms and the outcomes indicated that in the presence of Quercetin (200 ppm):Zn (600 ppm) inhibitors the most protective film against chloride solution was attained (97% efficiency) after 24 h of iron exposure. Additionally, the theoretically derived outcomes applying MC/MD modeling associated with DFT calculations ascertained the interactions followed by adsorption of complexes over the M-Steel.
Keywords:Natural flavonoid;Metal-organic film;Computer modeling;Corrosion;EIS;MC/MD modeling
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