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Experimental and theoretical investigations of four amine derivatives as effective corrosion inhibitors for mild steel in HCl medium

机译：四胺衍生物作为HCl培养基中温和钢的有效腐蚀抑制剂的实验和理论研究

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摘要

Four amine derivative compounds were synthesized: 2-[(phenylamino)methyl]phenol, 2-{[(4-hydroxyphenyl)amino]methyl}phenol, 2-[(2-hydroxybenzyl)amino]benzonitrile and 2-{[(3-chlorophenyl)amino]methyl}phenol. The structure of the organic molecules was confirmed by FT-IR,C-13 NMR and(1)H NMR spectroscopy analyses. Their corrosion inhibition performances on mild steel in 1 M HCl were investigated using electrochemical measurements and surface analysis. Scanning electron microscopy analysis confirms the presence on the mild steel surface of a protective film of the as-prepared organic compounds, which depends on the substituent groups. Moreover, density functional theory and molecular dynamics simulation were employed in order to determine the adsorption mechanism and the position of amine derivative molecules towards the mild steel surface in an aggressive solution and to confirm the electrochemical results. The inhibition efficiency (IE) decreases with a decrease in concentration and the adsorption obeyed the Langmuir isotherm. The substitution of the OH group on the aromatic ring by Cl or CN increases IE to 90.23 and 92.56%, respectively. Molecular dynamics simulations attested that the four molecules were adsorbed on the Fe (110) surface in a flat position in the presence of water and HCl with high interaction between the different groups of the inhibitors and mild steel surface.
机译：合成四组胺衍生物的化合物：2 - [（苯基氨基）甲基]苯酚，2 - {[（4-羟基苯基）氨基]甲基}苯酚，2 - [（2-羟基苄基）氨基]苄腈和2 - {[（3-氯苯基）氨基]甲基}苯酚。有机分子的结构通过FT-IR，C-13 NMR和（1）1 H NMR谱分析证实。使用电化学测量和表面分析它们对低碳钢的腐蚀抑制性能，在1M的HCl进行了调查。扫描电子显微镜分析证实了所制备的有机化合物构成的保护膜，其依赖于取代基的低碳钢表面上的存在。此外，密度泛函理论和分子动力学模拟，以确定在吸附机构和胺衍生物分子的朝向低碳钢表面在腐蚀溶液中的位置，并确认电化学结果使用。抑制效率（IE）与浓度的降低和服从Langmuir等温吸附降低。 OH基团的由Cl或CN在芳环上的取代分别增加IE到90.23和92.56％。分子动力学模拟证明，这四个分子吸附在铁（110）面在水和HCl的存在下与抑制剂和软钢表面的不同组之间的高相互作用的平坦位置。

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  • 来源
    《RSC Advances》 |2020年第40期|共14页
  • 作者

    Boughoues Yasmine; Benamira Messaoud; Lyamine Messaadia; Bouider Nafila; Abdelaziz Samia;

  • 作者单位

    Univ Mohamed Seddik Benyahia Lab Interact Mat &

    Environm LIME BP 98 Ouled Aissa 18000 Jijel Algeria;

    Univ Mohamed Seddik Benyahia Lab Interact Mat &

    Environm LIME BP 98 Ouled Aissa 18000 Jijel Algeria;

    Univ Jijel Lab Energet Appl &

    Mat BP 98 Ouled Aissa 18000 Jijel Algeria;

    Univ Mohamed Seddik Benyahia Dept Chem BP 98 Ouled Aissa 1800004 Jijel Algeria;

    Univ Mohamed Seddik Benyahia Lab Interact Mat &

    Environm LIME BP 98 Ouled Aissa 18000 Jijel Algeria;

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  • 正文语种 eng
  • 中图分类 化学;
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