5,5-DIPHENYL-2-THIOXOIMIDAZOLIDIN-4-ONE METHODOLOGICAL MECHANISM TO CORROSION INHIBITION FOR MILD STEEL DISSOLUTION IN HCL: DFTS, MOLECULAR DYNAMICS AND EXPERIMENTAL PROCEDURES
نوع المنشور
بحث أصيل
المؤلفون

Abstract

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 1mM. 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.

المجلة
العنوان
Ismail warad
الناشر
Ismail warad
بلد الناشر
فلسطين
نوع المنشور
مطبوع فقط
المجلد
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