سال انتشار: ۱۳۸۵

محل انتشار: ششمین همایش ملی دانشجویی مهندسی شیمی و پنجمین همایش ملی دانشجویی مهندسی نفت

تعداد صفحات: ۵

نویسنده(ها):

شیدا شیخ‌شوئی – گروه مهندسی شیمی دانشگاه شهید باهنر کرمان
علی محبی – گروه مهندسی شیمی دانشگاه شهید باهنر کرمان

چکیده:

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.