Corrosion Behaviour of Some Phenyl Thiazole by Multiple Linear Regression Technique

Abstract

Density functional theory methods B3LYP/6-31G(d,p) and PBE0/6-31G(d,p) were utilized and ab inito calculations were performed in RHF/3-21G(d,p) levels on the inhibitive effect of corrosion of four phenyl thiazole compounds namely amino phenylthiazole (APT), cinnamalidine aminophenylthiazole (CAPT), 2-salicylidine aminophenylthiazole (SAPT) and 2-vanilidine-amino-4-phenylthiazole (VAPT) on mild steel surface. The order of inhibition efficiency was found to be CAPT > VAPT > SAPT > APT. Most of the quantum chemical parameters used show agreement with this trend and the experimental and the calculated inhibition efficiency showed a good correlation.