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5-Aminotetrazole a highly efficient corrosion inhibitor for mild steel in 0.1 N sulphuric acid: Experimental & theoretical study
Chemical Data Collections Pub Date : 2021-05-15 , DOI: 10.1016/j.cdc.2021.100721
Harish Kumar , Tilak Dhanda

5-Aminotetrazole (ATA) was tested as corrosion inhibitor for mild steel (MS) by experimental and theoretical techniques at three different temperatures. Electrochemical (Tafel plots and EIS) and weight loss experiments were used to test the corrosion inhibition efficiency of ATA for the MS in 0.1 N H2SO4. Theoretical study like Langmuir and Frumkin adsorption isotherm (LAI and FAI), and density functional theory (DFT) i.e., Ab initio, geometry optimization, frequency calculation, HOMO and LUMO eigenvalues, Molecular Dynamics Simulation (MDS), theoretical IR spectra and different chemical reactivity parameters were estimated. The mechanism of corrosion inhibition provided by ATA and different types of corrosion in 0.1 N H2SO4 were investigated in detail. SEM and metallurgical image microscopy prove the strong adsorption of ATA on MS by blocking the active corrosion sites. ATA shows 87.83% inhibition efficiency at 1000 ppm concentration. BOD and COD of wastewater were found in the permissible limit.



中文翻译:

5-氨基四唑是0.1 N硫酸中低碳钢的高效缓蚀剂:实验和理论研究

在三个不同的温度下,通过实验和理论技术对5-氨基四唑(ATA)作为低碳钢(MS)的缓蚀剂进行了测试。电化学(Tafel图和EIS)和失重实验用于测试ATA对MS在0.1 NH 2 SO 4中的缓蚀性能。理论研究,例如Langmuir和Frumkin吸附等温线(LAI和FAI),以及密度泛函理论(DFT),即从头算,几何优化,频率计算,HOMO和LUMO特征值,分子动力学模拟(MDS),理论IR光谱和不同化学物质估计反应性参数。ATA提供的缓蚀机理以及0.1 NH 2 SO中不同类型的腐蚀对4个进行了详细调查。SEM和金相显微镜证实了ATA在MS上的强吸附性,可以阻断活性腐蚀部位。ATA在1000 ppm浓度下显示出87.83%的抑制效率。发现废水的BOD和COD在允许的范围内。

更新日期:2021-05-24
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