低碳钢的合成、表征、两种SCHIFF碱在HCL中的缓蚀作用及密度泛函理论研究

A. Madani, L. Sibous, E. Bentouhami
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引用次数: 0

摘要

本研究合成了两个希夫碱(E,E)-N,N′-联苯基-4-4′二基双[1-(呋喃-2-基)甲亚胺](BEFu)和3-[(Z)-N(4′-氨基联苯基-4基)乙酰亚胺]-2-羟基-6-甲基- 4h -吡喃-4- 1 (BEDh),并利用紫外可见光谱、红外光谱和核磁共振技术对其进行了表征。采用失重法、动电位极化法、EIS技术和密度泛函理论(DFT)研究了BEFu和BEDh在1M盐酸介质中对低碳钢的缓蚀作用。结果表明,缓蚀剂的缓蚀效率随浓度的增加而增加,呈现出以阳极型为主的混合型缓蚀剂。为了解释吸附在低碳钢表面的这些分子的抑制能力,我们使用DFT进行了量子化学计算。计算HOMO和LUMO能量,确定整体反应性指标。实验结果与理论结果吻合较好。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
SYNTHESIS, CHARACTERIZATION, CORROSION INHIBITION OF MILD STEEL BY TWO SCHIFF BASES IN HCL AND DENSITY FUNCTIONAL THEORY STUDIES
In this study, two Schiff bases namely (E,E)-N,N’-biphenyl-4-4’diylbis[1-(furan-2-yl)methanimine] (BEFu) and3-[(Z)-N(4’-aminobiphenyl-4yl)ethanimidoyl]-2-hydroy-6-methyl-4H-pyran-4-one (BEDh) have been synthesized and characterized using UV-visible, FTIR, and NMR techniques. The corrosion inhibition study of BEFu and BEDh was investigated for mild steel corrosion in 1M hydrochloric acid medium using weight loss method, potentiodynamic polarization, EIS techniques, and Density Functional Theory (DFT). The results showed that the inhibition efficiency increasing with concentration and revealing a mixed-type inhibitor of predominantly anodic type. To explain the inhibition abilities of those molecules adsorbed on the mild steel surface, quantum chemical calculations have been performed using DFT. The HOMO and LUMO energies were calculated to determine the global reactivity indexes.  The experimental and theoretical results were in good agreement.
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