吸附
肺表面活性物质
腐蚀
扫描电子显微镜
表面张力
缓蚀剂
临界胶束浓度
密度泛函理论
化学
化学工程
离子键合
水溶液
接触角
朗缪尔吸附模型
材料科学
胶束
物理化学
计算化学
有机化学
热力学
复合材料
离子
工程类
物理
生物化学
作者
Richika Ganjoo,Shveta Sharma,Praveen Kumar Sharma,Omar Dagdag,Avni Berisha,Eno E. Ebenso,Ashish Kumar,Chandrabhan Verma
出处
期刊:Molecules
[MDPI AG]
日期:2023-02-07
卷期号:28 (4): 1581-1581
被引量:14
标识
DOI:10.3390/molecules28041581
摘要
Recent studies indicate that surfactants are a relatively new and effective class of corrosion inhibitors that almost entirely meet the criteria for a chemical to be used as an aqueous phase corrosion inhibitor. They possess the ideal hydrophilicity to hydrophobicity ratio, which is crucial for effective interfacial interactions. In this study, a coconut-based non-ionic surfactant, namely, coco monoethanolamide (CMEA), was investigated for corrosion inhibition behaviour against mild steel (MS) in 1 M HCl employing the experimental and computational techniques. The surface morphology was studied employing the scanning electron microscope (SEM), atomic force microscope (AFM), and contact measurements. The critical micelle concentration (CMC) was evaluated to be 0.556 mM and the surface tension corresponding to the CMC was 65.28 mN/m. CMEA manifests the best inhibition efficiency (η%) of 99.01% at 0.6163 mM (at 60 °C). CMEA performs as a mixed-type inhibitor and its adsorption at the MS/1 M HCl interface followed the Langmuir isotherm. The theoretical findings from density functional theory (DFT), Monte Carlo (MC), and molecular dynamics (MD) simulations accorded with the experimental findings. The MC simulation's assessment of CMEA's high adsorption energy (-185 Kcal/mol) proved that the CMEA efficiently and spontaneously adsorbs at the interface.
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