Quantum chemical study of the inhibition properties of pyridine and its derivatives at an aluminum surface
作者： Y Xiao-Ci , Z Hong , L Ming-Dao , R Hong-Xuan , Y Lu-An
DOI: 10.1016/S0010-938X(99)00091-8
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摘要: Abstract A quantum chemical study of the corrosion inhibition properties pyridine and its derivatives at aluminum electrode in hydrochloric acid was carried out. Based on calculated results compounds were adsorbed metal surface mainly their protonated forms. The models inhibitors adsorption Al-surface optimized with MNDO method. It is found that most favorable model inhibitor molecule an inclined state, electron transferred to inhibitor. co-adsorption Cl− Hads discussed.
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