迷迭香提取物在二氯乙酸介质中对冷轧钢的缓蚀作用及吸附机理研究

白子俊, 朱平, 高芸, 李向红, 邵丹丹, 徐娟

Corrosion Inhibition Effect and Adsorption Mechanism of Rosemary Extract for Cold-rolled Steel in a Dichloroacetic Acid Medium

BAI Zijun, ZHU Ping, GAO Yun, LI Xianghong, SHAO Dandan, XU Juan

表4 主要成分的量子化学相关参数

Table 4 Quantum chemical correlation parameters of the main components

Component EHOMO / eV ELUMO / eV ∆E / eV σ / eV -1 ζ / eV χ ∆N SJA -5.610 -1.867 3.743 0.534 1.872 3.739 0.289 1,2-d-4-D-4,6-d-α-D -5.122 -2.782 2.340 0.855 1.17 3.952 0.371 SAA -4.963 -1.458 3.505 0.570 1.753 3.211 0.459 Fru-Phe -4.966 -4.192 0.774 2.584 0.387 4.579 0.311 RA -5.012 -2.510 2.502 0.799 1.251 3.761 0.421