SYNTHESIS OF PFG BRAND CORROSION INHIBITOR AND ITS QUANTUM CHEMICAL CALCULATION RESULTS

This article examines the optimal conditions for synthesizing a new type of corrosion inhibitor based on p-paraphenylenediamine, formalin, and glycine. It was determined that the ideal mole ratio of the initial substances is 1:2:2 mol, and the optimal temperature range is between 40 and 65 degrees Celsius. The reaction efficiency under these optimal conditions was found to be 89.4%. The structure of the synthesized corrosion inhibitor was analyzed using IR spectra. Additionally, the Avogadro, Hyper Chem 8.01, Asselrys MS Modeling 3.0.1 software was used to perform quantum chemical calculations on the reaction properties of this synthesized inhibitor molecule. The calculations were carried out using the constrained Semiempirical (UHF) method, with SCF-MO using semi-empirical AM1, MNDO, and PM3. These calculations were performed on an Intel Pro Pentium 1.40 GHz computer, utilizing the RM1, MNDO3 HOMO, and LUMO methods. To further evaluate the effectiveness of this synthesized corrosion inhibitor, the gravimetric method was employed to inhibit St20 grade steel in a 1 M HCl solution. The steel surface morphology and element composition were also examined using SEM and AFM analysis.