scholarly journals Theoretical and Experimental Study of a New Imidazo (1,2-a) Pyridine Derivative as a Corrosion Inhibitor for the Carbon Steel Surface in the Saline Media

2020 ◽  
Vol 23 (1) ◽  
pp. 13-26
Author(s):  
Rehab Kubba ◽  
◽  
Nada Al-Joborry ◽  
Keyword(s):  
Experimental Study ◽  
Carbon Steel ◽  
Corrosion Inhibitor ◽  
Steel Surface ◽  
Pyridine Derivative ◽  
Carbon Steel Surface

scholarly journals Theoretical study of a new oxazolidine -5- one derivative as a corrosion inhibitor for carbon steel surface

2021 ◽  
pp. 1396-1403
Author(s):  
Rehab Majed Kubba ◽  
Nada Mohammed Al-Joborry
Keyword(s):  
Carbon Steel ◽  
Corrosion Inhibitor ◽  
Density Functional ◽  
Steel Surface ◽  
Equilibrium Geometry ◽  
Chemical Parameters ◽  
Functional Theory ◽  
Carbon Steel Surface ◽  
Quantum Mechanical Method ◽  
Inhibition Performance

A newly derivative of oxazolidin-5- one namely [2-(2-biphenyl-4-yl-imidazo [1,2-a] pyridine-3-yl)-3-(4-nitro-phenyl)-oxazolidin-5-one (BIPNO5)] was examined as an corrosion inhibitor for carbon steel surface. Quantum mechanical method of Density Functional Theory (DFT) with (B3LYP (6-311++G (2d, 2p)) level of theory was used to calculate the minimize structure, physical properties and inhibition chemical parameters, in vacuum and two solvents (DMSO and H2O), all at equilibrium geometry. The results indicated that the new derivative could adsorb on the surface of carbon steel through the heteroatom, showing that the new inhibitor has good corrosion inhibition performance.

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