عنوان المقالة: Experimental studies on inhibition of mild steel corrosion by novel synthesized inhibitor complemented with quantum chemical calculations
aghried A Salman, Khalida F Al-Azawi, Iman Mahdi Mohammed, Shaimaa B Al-Baghdadi, Ahmed A Al-Amiery, Tayser Sumer Gaaz, Abdul Amir H Kadhum
الملخص الانجليزي
One of best method, which was used to prevent the mild steel from corrosion, was through employed natural or synthetic organic chemical compounds. Here in, we displayed a Schiff base derivative which has nitrogen, oxygen and sulfur atoms as corrosion inhibitor for MS “mild steel” in 1M HCl “hydrochloric acid” solution. Synthesized inhibitor was characterized by using of FT-IR “Fourier transform infrared” and NMR “Nuclear magnetic resonance” spectroscopies in addition to CHN analysis technique. The weight loss and SEM “Scanning electron microscope” studies showed that inhibitor have the ability to prevent the alloy surface from corrosive solution by adsorbing on MS surface to form stable adsorbed layer that results in the higher inhibition efficiency. The inhibition influence of the synthesized inhibitor was increased parallel with increasing concentration and decrease with rising temperature degrees. Furthermore, DFT “Density function theory” has been employed to calculate quantum chemical parameters “Energy, highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) and electronegativity (χ)” which performed on synthesized corrosion inhibitor to determine the relationship between the structure of synthesized inhibitor molecule and inhibition performance.
تيسير سمير جعاز | Tayser Sumer Gaaz | 3669