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- W2375609567 abstract "The molecular design process of a novel morpholinium type volatile corrosion inhibitor was investigated by Pcmodel forcefield program and PM3 semi-empirical quantum chemical calculation.N,N-dicyclohexyl-aminomethyl-morpholine was synthesized by linking the morpholine and dicyclohexylamine with —CH_2— chain via Mannish reaction.N,N-dicyclohexyl-aminomethyl-morpholine has the highest E_(HOMO) and the lowest E_(LUMO) compared with morpholine and dicyclohexylamine.This intensified the chelate ability between the Fe and inhibitors and enhanced the inhibitor coverage on metal surface.The introduction benzoic acid root into N,N-dicyclohexyl-aminomethyl-morpholine led to an increased E_(HOMO) and a decreased E_(LUMO) of this system.This gives a good protection effect for the novel morpholinium type volatile corrosion inhibitor against steel corrosion." @default.
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- W2375609567 date "2009-10-10" @default.
- W2375609567 modified "2023-09-26" @default.
- W2375609567 title "Molecular design and synergistic effect of morpholinium type volatile corrosion inhibitor" @default.
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