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Monitoring the Interaction of Two Heterocyclic Compounds on Carbon Steel by Electrochemical Polarization, Noise, and Quantum Chemical Studies

机译:通过电化学极化,噪声和量子化学研究监测碳钢上两种杂环化合物的相互作用

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摘要

A heterocyclic phenylhydrazone 2-[(E)-(2-phenylhydrazinylidene)methyl]pyridine (P2APH) and its reduced form 2-[(2-phenylhydrazinyl)methyl]pyridine (RP2APH) were synthesized, characterized, and subjected to corrosion inhibition investigation on carbon steel (CS) in 1M HCI using gravimetric, polarization, electrochemical noise, quantum chemical, and surface studies. P2APH showed more inhibition capacity than RP2PPH. But RP2PPH was very stable in acid medium and showed pronounced corrosion inhibition efficacy for days. Energy of HOMO and LUMO, their difference, number of electrons transferred, electronegativity, chemical hardness, and so forth were evaluated by quantum chemical studies. Agreeable correlation was observed between the results of quantum chemical calculations and other corrosion monitoring techniques.
机译:合成了杂环苯基hydr2-[((E)-(2-苯基肼基亚甲基)甲基]吡啶(P2APH)及其还原形式2-[((2-苯基肼基甲基)甲基]吡啶(RP2APH),进行了表征,并进行了缓蚀研究使用重量分析,极化,电化学噪声,量子化学和表面研究在1M HCl中对碳钢(CS)进行了研究。 P2APH比RP2PPH表现出更大的抑制能力。但是RP2PPH在酸性介质中非常稳定,并在数天内显示出显着的缓蚀效果。通过量子化学研究评估了HOMO和LUMO的能量,它们的差异,转移的电子数,电负性,化学硬度等。在量子化学计算的结果和其他腐蚀监测技术之间观察到令人满意的相关性。

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  • 来源
    《International journal of corrosion》 |2016年第2016期|4204532.1-4204532.10|共10页
  • 作者单位

    Department of Chemistry, Government Engineering College, Thrissur, Kerala 680009, India;

    Department of Chemistry, Government Engineering College, Thrissur, Kerala 680009, India;

    Research Division, Department of Chemistry, St. Thomas' College (Autonomous), Thrissur, Kerala 680001, India;

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