بررسي اثر بازدارنده‌هاي سبز L-سيستئين، دارويD -پنيسيلامين و برخي مشتقات تيازولي و پلي آميدي بر روي خوردگي فولاد نرم و مس در محيط HCl با روش‌هاي تجربي و محاسباتي

دكتري

Today, metals such as iron and copper are widely used in various industries, since they are often in contact with corrosive solutions; corrosion protection is of particular importance. In this dissertation, for the first time, the biocompatible compounds D-penicillamine (PA) and some synthesized thiazole and polymer compounds (4-(2-aminothiazole-4-yl) phenol (ATP), 4-phenylthiazole-2-amine (PTA) and 4,4′-(thiobis(2-aminothiazole-5,4-diyl)) diphenol (TATD), 4-(pyridin-3-yl) thiazol-2-amine (PyTA), and sulfonated aromatic polyamide (SAP)) were investigated as corrosion inhibitors of copper and mild steel in 1 M HCl. Also, to study the effect of molecular structure on the inhibition rate, due to the structural similarity of the PA drug to the amino acid L-cysteine (Cys), the compound PA was investigated and compared with Cys. Experimental experiments at different concentrations of inhibitors were investigated using potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), atomic force microscopy (AFM) and scanning electron microscopy (SEM). Moreover, density functional theory (DFT) and molecular dynamics (MD) simulation calculations were performed to obtain the electronic properties of studied inhibitors and their adsorption behavior on the metal-surface. At optimum concentration, the inhibitory efficiency of Cys was about 90% and for PA was about 75%. Comparison of the corrosion inhibiting effect of monomeric form (ATP) and dimeric form (TATD) of thiazole compound showed that inhibitor dimerization did not result in a better interaction with copper surface and higher yield. This is related to the steric effect of the dimer molecule and the angle of the molecule being investigated by the computational method. The adsorption of the inhibitors on the surface followed the Langmuir adsorption isotherm. Comparison of thiazole compounds at about 90% efficiency indicated the order of inhibitors with lower mass consumption as follows: PyTA> PTA> ATP> SAP> TATD

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