شیدا شیخ شوئی - گروه مهندسی شیمی دانشگاه شهید باهنر کرمان
علی محبی - گروه مهندسی شیمی دانشگاه شهید باهنر کرمان

The effect of some organic compounds with C=N and OH groups on the inhibition efficiency for corrosion of metal has been investigated by some theoretical methods. The molecular orbital calculations explain the adsorption of the inhibitors to the surface through the C=N and OH centers with may be due to the lengthening of the C=N and OH bond lengths and the increasing of election density on the nitrogen and oxygen atoms. The calculations explain that the presence of electrophilic group shows the highest charge density on the nitrogen and oxygen atoms and the highest protection efficiency due to its polar interaction with a metal surface.

Anti corrosion, electrophil group, Theoretical investigation, Molecular structure