吗啉
萘醌
电化学
分子
腐蚀
轨道能级差
三嗪
核化学
组合化学
化学
材料科学
有机化学
物理化学
电极
作者
Regina Westphal,Jorge Welton de Souza Pina,Juliana Panceri Franco,Josimar Ribeiro,Maicon Delarmelina,Rodolfo G. Fiorot,José Walkimar de M. Carneiro,Sandro J. Greco
标识
DOI:10.4236/aces.2020.104024
摘要
Three molecules containing morpholine, 1,4-naphthoquinone, 7-chloroquinoline and 1,3,5-triazine cores, scaffolds with recognized anti-corrosive activity, were synthesized and had their anticorrosive activity evaluated through potentiodynamic polarization and electrochemical impedance studies. Both studies were conducted in a simulated production water medium containing 150,000 mg·L-1 Cl- and 5 mg·L-1 S2-. Corrosion inhibition efficiency ranged from 67% - 86%, amongst which the naphthoquinone-containing derivative (compound 1) was the most effective. These compounds act through formation of a protective film on the surface of AISI 316 stainless steel. Investigation of the molecular properties of the prepared inhibitors by DFT calculations revealed that the LUMO energy and chemical hardness of the molecules can be directly correlated with their inhibition efficiency.
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