The electrochemical performance of 1-diethylamino-propan-2-ol (EAP) and 1,3-bis-diethylamino-propan-2-ol (DEAP) for brass in simulated atmospheric water is evaluated by potentiodynamic curves and electrochemical impedance spectroscopy (EIS). The experimental results show that the investigated compounds, which can effectively retard the anodic dissolution of brass, are anodic inhibitors. Furthermore, the inhibition efficiency of DEAP is higher than that of EAP at the same concentration. This observation is supported by density functional theoretical (DFT) parameters such as the highest occupied molecule energy level (E_HOMO), the lowest unoccupied molecule energy level (E_LUMO), the energy difference (ΔE) between E_HOMO and E_LUMO, Mulliken charges and the HOMO orbital.

中文翻译：

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β-氨基醇作为黄铜腐蚀抑制剂的电化学和DFT研究

通过电位动力学曲线和电化学阻抗谱（EIS）评估了1-二乙氨基丙-2-醇（EAP）和1,3-双二乙氨基丙-2-醇（DEAP）在模拟大气水中的黄铜的电化学性能。 ）。实验结果表明，所研究的能有效延缓黄铜阳极溶解的化合物是阳极抑制剂。此外，在相同浓度下，DEAP的抑制效率高于EAP。该观察结果通过密度泛函理论（DFT）的参数，如最高占据分子能级（支持ë _HOMO），最低未占分子能级（ë _LUMO），则能量差（Δ Ë之间）È_HOMO和E _LUMO，Mulliken电荷和HOMO轨道。