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首页> 外文期刊>Egyptian journal of petroleum >Structure effect of some amine derivatives on corrosion inhibition efficiency for carbon steel in acidic media using electrochemical and Quantum Theory Methods
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Structure effect of some amine derivatives on corrosion inhibition efficiency for carbon steel in acidic media using electrochemical and Quantum Theory Methods

机译：电化学和量子理论方法研究某些胺衍生物对酸性介质中碳钢缓蚀性能的影响

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The structure effect on corrosion inhibition of two amines and their derivatives is the main object of this article. The first amine was 1,8-diaminooctane and its ethoxylated (50e.o.) 1,8-diaminooctane and propoxylated (50p.o.) 1,8-diaminooctane. The second amine is the tetraethylenepentamine and its ethoxylated (50e.o.) and propoxylated (50p.o.) derivatives. The investigations were carried out by open circuit potential, potentiodynamic polarization, electrochemical impedance, quantum calculations and SEM measurements. The data obtained for the first amine showed the minimum inhibition efficiency (65.5%), meanwhile the maximum inhibition efficiency was 78.9% for its propoxylated derivative. On the other hand the maximium inhibition efficiency was 91% for the second propoxylated amine. The electronic properties; HOMO and LUMO energy levels, energy gap, dipole moment, polarizability, logP, total energy, charge densities, area/molecule and hydration energy have been calculated. The inhibition efficiency was calculated theoretically using the electronic parameters. From the obtained results, there is a significant difference between the inhibition efficiency of the electronic and the inhibition efficiency experimentally. The results were discussed on the light of the chemical structure of the used inhibitors. In general, the inhibition efficiency is affected by the shape and structure of the molecule.
机译：结构对两种胺及其衍生物的腐蚀抑制作用是本文的主要目的。第一胺是1，8-二氨基辛烷，其乙氧基化（50e.o.）1，8-二氨基辛烷和丙氧基化（50p.o.）1，8-二氨基辛烷。第二种胺是四亚乙基五胺及其乙氧基化（50e.o.）和丙氧基化（50p.o.）的衍生物。通过开路电势，电位动力学极化，电化学阻抗，量子计算和SEM测量进行了研究。对于第一胺获得的数据显示出最小的抑制效率（65.5％），同时其丙氧基化衍生物的最大抑制效率为78.9％。另一方面，第二种丙氧基化胺的最大抑制效率为91％。电子特性;计算出HOMO和LUMO的能级，能隙，偶极矩，极化率，logP，总能，电荷密度，面积/分子和水合能。理论上使用电子参数计算抑制效率。根据获得的结果，电子的抑制效率与实验上的抑制效率之间存在显着差异。根据所用抑制剂的化学结构讨论了结果。通常，抑制效率受分子的形状和结构影响。

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