Electrochemical and DFT studies of β-amino-alcohols as corrosion inhibitors for brass

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 (EHOMO), the lowest unoccupied molecule energy level (ELUMO), the energy difference (ΔE) between EHOMO and ELUMO, Mulliken charges and the HOMO orbital.