文章基本信息

标题：Experimental, quantum chemical and molecular dynamic simulations studies on the corrosion inhibition of mild steel by some carbazole derivatives
本地全文：下载
作者：Henry U. Nwankwo ; Lukman O. Olasunkanmi ; Eno E. Ebenso 等
期刊名称：Scientific Reports
电子版ISSN：2045-2322
出版年度：2017
卷号：7
期号：1
DOI：10.1038/s41598-017-02446-0
语种：English
出版社：Springer Nature
摘要：Five selected carbazole derivatives, namely carbazole, 3,6-dibromocarbazole, 2-hydroxycarbazole, 1,2,3,4-tetrahydrocarbazole and 9-(2-ethylhexyl)carbazole-3,6-dicarboxaldehyde were investigated for their inhibitive effects on Desulfovibrio vulgaris (D. vulgaris) induced corrosion of mild steel and in 1 M HCl medium using weight loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques. The carbazole derivatives were found to be mixed type inhibitors with predominantly cathodic inhibitive effects for mild steel in 1 M HCl. Surface morphology results showed the compounds formed adsorbed film on mild steel surface in both aqueous acid and sulphate reducing bacteria (SRB) media. Quantum chemical calculations were used to provide molecular based explanations for the inhibitive effects of the compounds. The interactions of the molecules with mild steel surface was simulated based on molecular dynamic simulations approach using Fe(110) crystal surface as representative metallic surface.