Experimental studies on the corrosion inhibition of mild steel by 1-(phenylamino-1,3,4-thiadiazol-5-yl)-3-phenyl-3-oxopropan complemented with DFT Modeling

Abstract 1-(Phenylamino-1,3,4-thiadiazol-5-yl)-3-phenyl-3-oxopropan (PTPO) was selected as the investigated material for studying protection performance mild steel in 1 mol L-1 hydrochloric acid solution. The inhibitor assessed using weight loss measurements complemented with morphological analytical techniques and density functional theory (DFT) modelling. PTPO demonstrated significant inhibitive efficacy of 95.4% presence 500 ppm at 303 K. efficiency increases concentration increasing from 100 to ppm, no effect after ppm. Furthermore, gravimetric findings reveal that immersion period temperature (303-333 K), due effective adsorption on surface, value is 95.8% 48 h exposure 95.4%, 95.7% 95.9% 303, 313, 323 333 K, respectively. surface obeyed Langmuir isotherm model revealing mode chemisorption adsorption. According DFT calculations, by essentially performed heteroatoms molecules which represented sites, aromatic rings increase electrostatic interaction between surface. studies, measurements, computational studies are good agreement corrosion adsorbed form a protected layer against