Shaimaa B Al-Baghdadi, Fanar G Hashim, Ahmed Q Salam, Talib K Abed, Tayser Sumer Gaaz, Ahmed A Al-Amiery, Abdul Amir H Kadhum, Khalid S Reda, Wahab K Ahmed
الملخص الانجليزي
The corrosion inhibition effectiveness of thiosemicarbazide compound, namely 3-nitro-5-(2-amino-1,3,4-thiadiazolyl)nitrobenzene (NATN), on mild steel in 1 M hydrochloric acid media has been investigated byweight loss technique. The results exhibit that the corrosion ratio of mild steel was reduced regarding toadding NATN. The corrosion inhibition rate for the NATN was 92.3% at the highest investigated NATN con-centration. From the weight loss results it could be concluded that NATN with sulfur, nitrogen and oxy-gen atoms has clarified best corrosion inhibition achievement comparing to 3,5-dinitrobenzoic acid.Regarding to theoretical studies, DFT was employee to figured geometrical structure and electronic char-acteristics on NATN. The investigation have been extensive to the HOMO and LUMO analysis to evaluatethe energy gap, Ionization potential, Electron Affinity, Global Hardness, Chemical Potential,Electrophilicity, Electronegativity and Polarizability.
تيسير سمير جعاز | Tayser Sumer Gaaz | 4331