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5,5-DIPHENYL-2-THIOXOIMIDAZOLIDIN-4-ONE METHODOLOGICAL MECHANISM TO CORROSION INHIBITION FOR MILD STEEL DISSOLUTION IN HCL: DFTS, MOLECULAR DYNAMICS AND EXPERIMENTAL PROCEDURES
Surface Review and Letters ( IF 1.2 ) Pub Date : 2020-05-13 , DOI: 10.1142/s0218625x20500055
R. NABAH 1, 2 , F. BENHIBA 1 , T. LAABAISSI 1 , H. ZARROK 1 , M. CHERKAOUI 2 , H. OUDDA 1 , Y. RAMLI 3 , I. WARAD 4 , A. ZARROUK 5
Affiliation  

Continuing to study the inhibition of corrosion, 5,5-diphenyl-2-thioxoimidazolidin-4-one (PTI) has been tested as a corrosion inhibitor for mild steel (MS) in an aggressive 1 M HCl solution by chemical and electrochemical techniques: weight loss, potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) and energy-dispersive X-ray (EDX) analysis, UV-Visible. Inhibitory efficacy increases with increasing inhibitor concentration and decreases with increasing temperature. The studied inhibitor is more efficient (99.2%) at 298 K at an optimal concentration of 1[Formula: see text]mM. The PDP study revealed that PTI behaved as mixed type of inhibitor. In addition, the PTI inhibitor obeys the single layer adsorption isotherm of Langmuir. The quantum chemical calculations, molecular dynamic (MD) simulation studies fairly well agreed with the experimental measurements.

中文翻译:

5,5-二苯基-2-硫代咪唑啉-4-ONE 低碳钢在 HCL 中溶解的腐蚀抑制方法学机制:DFTS、分子动力学和实验程序

继续研究腐蚀的抑制作用,5,5-diphenyl-2-thioxoimidazolidin-4-one (PTI) 已通过化学和电化学技术在腐蚀性 1 M HCl 溶液中作为低碳钢 (MS) 的腐蚀抑制剂进行了测试:失重、动电位极化 (PDP)、电化学阻抗谱 (EIS)、扫描电子显微镜 (SEM) 和能量色散 X 射线 (EDX) 分析,紫外可见。抑制效力随着抑制剂浓度的增加而增加,随着温度的升高而降低。所研究的抑制剂在 298 K 和 1[公式:见文本]mM 的最佳浓度下更有效 (99.2%)。PDP 研究表明,PTI 表现为混合型抑制剂。此外,PTI 抑制剂遵循 Langmuir 的单层吸附等温线。量子化学计算,
更新日期:2020-05-13
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