采用Pcmodel分子力学程序和PM3半经验量子化学计算法，对 新型吗啉衍生物气相缓蚀的分子设计过程进行了讨论.结果表明：通过分子内的亚甲基链把 吗啉和二环己胺分子连接起来，合成吗啉Mannish碱衍生物N,N-二环己基胺甲基吗啉，可以 在碳钢表面形成多中心的吸附，具有较高的EHOMO和较低的ELUMO，提 高了N,N-二环己基胺甲基吗啉在金属表面的覆盖程度以及与金属的键合强度.当向N,N-二环 己基胺甲基吗啉引入苯甲酸根阴离子后，整个体系的EHOMO进一步升高，E LUMO进一步降低，该复配体系和钢铁成键更稳定，从而使其气相缓蚀能力得到进一步的 增强.
Electrochemical impedance spectroscopy (EIS) was co upled with differential scanning calorimetry (DSC) and X-ray photoelectron spect roscopy (XPS) methods to investigate the effects of nano-Ti particle on the corr osion resistance of an epoxy coating on carbon steel.Four systems were studied:a clear coat and three pigmented coatings (with 0.1%,05%,1% nano-Ti).Impedance measurements showed that nano-Ti particle could improve the corrosion resistance of the coating;and the optimal addition is 0.5% (mass%).The results obtained by D SC and XPS showed that the nano-Ti particle enhanced interactions with epoxy res in.Addition the nano-Ti particles into epoxy resin can act two opposite effects: the beneficial effect is attributed to a chemical reaction between the nano-Ti powder and the epoxy resin,which improves the barrier effectiveness of the coati ng; this outweighs the harmful effect of an increase in the number of pores in t he coating.
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