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首页> 外文期刊>RSC Advances >Triazole-modified chitosan: a biomacromolecule as a new environmentally benign corrosion inhibitor for carbon steel in a hydrochloric acid solution
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Triazole-modified chitosan: a biomacromolecule as a new environmentally benign corrosion inhibitor for carbon steel in a hydrochloric acid solution

机译：三唑改性壳聚糖：生物致摩洛作为盐酸溶液中碳钢的新型环境良性腐蚀剂

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摘要

In this work, a new inhibitor, triazole modified chitosan, was synthesized for the first time following chemical modification of chitosan using 4-amino-5-methyl-1,2,4-triazole-3-thiol. The newly synthesized biopolymer (CS-AMT) was characterized using FTIR and NMR, and then it was evaluated as an inhibitor against corrosion of carbon steel in 1 M hydrochloric acid. The corrosion testing and evaluation were performed thoroughly employing the weight loss method, electrochemical measurements and surface analysis. A maximum corrosion inhibition efficiency of >95% was obtained at 200 mg L-1 concentration of inhibitor. The adsorption of inhibitor obeyed the Langmuir isotherm and showed physical and chemical adsorption. The electrochemical study via impedance analysis supported the adsorption of the inhibitor on the surface of carbon steel, and the potentiodynamic polarization indicated a mixed type of inhibitor behavior with cathodic predominance. To get a better insight on the interaction of inhibitor molecules with the metal surface, a detailed theoretical study was performed using DFT calculations, Fukui indices analysis and molecular dynamics (MD) simulation. The DFT study showed a lower energy gap of CS-AMT and the MD simulations showed an increased binding energy of CS-AMT compared to the parent chitosan and triazole moieties thereby supporting the experimental findings.
机译：在这项工作中，使用4-氨基-5-甲基-1,2,4-三唑-3-硫醇在壳聚糖的化学改性后第一次合成新的抑制剂三唑改性壳聚糖。使用FTIR和NMR表征新合成的生物聚合物（CS-AMT），然后在1M盐酸中评估为抗碳钢腐蚀的抑制剂。腐蚀测试和评估彻底使用减肥方法，电化学测量和表面分析。在200mg L-1浓度抑制剂中获得> 95％的最大腐蚀效率。抑制剂的吸附遵循琅勃马尔等温线，表现出物理和化学吸附。通过阻抗分析的电化学研究支持抑制剂对碳钢表面的吸附，并且电位极化偏振表明了阴极优势的混合类型的抑制剂行为。为了更好地了解抑制剂分子与金属表面的相互作用，使用DFT计算，福禄指数分析和分子动力学（MD）仿真进行了详细的理论研究。 DFT研究表明CS-AMT的较低能隙，与母壳多糖和三唑部分相比，MD模拟表明CS-AMT的结合能量增加，从而支持实验结果。

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  • 来源
    《RSC Advances》 |2019年第26期|共14页
  • 作者

    Chauhan Dheeraj Singh; Quraishi M. A.; Sorour A. A.; Saha Sourav Kr.; Banerjee Priyabrata;

  • 作者单位

    King Fahd Univ Petr &

    Minerals Ctr Res Excellence Corros Res Inst Dhahran 31261 Saudi Arabia;

    King Fahd Univ Petr &

    Minerals Ctr Res Excellence Corros Res Inst Dhahran 31261 Saudi Arabia;

    King Fahd Univ Petr &

    Minerals Ctr Res Excellence Corros Res Inst Dhahran 31261 Saudi Arabia;

    Cent Mech Engn Res Inst CSIR Surface Engn &

    Tribol Grp Mahatma Gandhi Ave Durgapur 713209 W Bengal India;

    Cent Mech Engn Res Inst CSIR Surface Engn &

    Tribol Grp Mahatma Gandhi Ave Durgapur 713209 W Bengal India;

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  • 正文语种 eng
  • 中图分类 化学;
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