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负载CeO纳米颗粒的羧甲基纤维素作为低碳钢高效保护膜的简便合成与表征:实验与计算结果的比较研究

Facile Synthesis and Characterization of CeO-Nanoparticle-Loaded Carboxymethyl Cellulose as Efficient Protective Films for Mild Steel: A Comparative Study of Experiential and Computational Findings.

作者信息

Gouda Mohamed, Khalaf Mai M, Al-Shuaibi Manal A A, Mohamed Ibrahim M A, Shalabi Kamal, El-Shishtawy Reda M, El-Lateef Hany M Abd

机构信息

Department of Chemistry, College of Science, King Faisal University, Al-Ahsa 31982, Saudi Arabia.

Chemistry Department, Faculty of Science, Sohag University, Sohag 82524, Egypt.

出版信息

Polymers (Basel). 2022 Jul 29;14(15):3078. doi: 10.3390/polym14153078.

Abstract

Corrosion is considered to be the most severe problem facing alloys and metals, one that causes potentially dangerous industrial issues such as the deterioration of buildings and machinery, and corrosion in factory tanks and pipelines in petroleum refineries, leading to limited lifetime and weak efficacy of such systems. In this work, novel CeO-nanoparticle-loaded carboxymethyl cellulose (CMC) was successfully prepared by using a simple method. The structural configuration of the prepared CeO-nanoparticle-loaded CMC was investigated by FE-SEM/EDX, TEM, FT-IR, and thermal analyses. The corrosion protection proficiency of uncoated and coated mild steel with CeO-CMC systems in 1.0 M HCl solutions was studied by E-time, EIS, and PDP tools. Moreover, the relationship between the structure of coating films and their corrosion protection was confirmed by DFT calculation and MC simulation. The obtained findings from the studied methods showed that the prepared CeO-CMC-coated films reported high corrosion resistance. The protection capacity augmented with ceria presents an increase of up to 3% to achieve 98.4%. DFT calculation and MC simulation confirmed the influence of the chemical construction of coated films on its protection capacity, which was in accordance with the experimental results.

摘要

腐蚀被认为是合金和金属面临的最严重问题,它会引发潜在危险的工业问题,如建筑物和机械的损坏,以及石油精炼厂中工厂储罐和管道的腐蚀,导致这些系统的使用寿命有限且效能低下。在这项工作中,通过一种简单的方法成功制备了新型的负载CeO纳米颗粒的羧甲基纤维素(CMC)。通过场发射扫描电子显微镜/能谱仪(FE-SEM/EDX)、透射电子显微镜(TEM)、傅里叶变换红外光谱(FT-IR)和热分析对所制备的负载CeO纳米颗粒的CMC的结构构型进行了研究。利用电化学时间(E-time)、电化学阻抗谱(EIS)和极化动力学曲线(PDP)工具研究了在1.0 M HCl溶液中未涂层和涂覆有CeO-CMC体系的低碳钢的腐蚀防护能力。此外,通过密度泛函理论(DFT)计算和分子动力学(MD)模拟证实了涂膜结构与其腐蚀防护之间的关系。从所研究方法获得的结果表明,所制备的CeO-CMC涂层膜具有高耐腐蚀性。随着二氧化铈的加入,保护能力提高了3%,达到了98.4%。DFT计算和MD模拟证实了涂膜化学结构对其保护能力的影响,这与实验结果一致。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a976/9370439/4f61fe85c2b3/polymers-14-03078-g001.jpg

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