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EXPERIMENTAL AND THEORETICAL STUDY OF 3-BENZYL -2- MERCAPTOQUINOIZOLINE-4(3H)-ONE (BMQ) AS AN INHIBITOR OF CARBON STEEL CORROSION IN ACIDIC MEDIA

The inhibition of 3-Benzyl -2-mercaptoquinoizoline -4 (3H)-one (BMQ) on the corrosion of carbon steel in 0.5 M HCl studied by potentionstat polarization methods at 303–333 K. Results obtained show that BMQ act as inhibitor for carbon steel in HCl solution. The inhibition efficiency increase with increase in BMQ concentration. Activation parameters and Gibbs free energy for the adsorption process using Statistical Physics calculated and discussed. Quantum chemical calculations using DFT at the B3LYP/6-31G level of theory were used to calculate some electronic properties of the molecule to verify any correlation between the inhibitive effect and molecular structure of BMQ. The quantum calculations were proceeded to get data around correlation amid the BMQ and electronic structures of examined inhibitor and their trial corrosion inhibition efficiencies. The structural data, as EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy) and dipole moment (μ), ∆E is energy gap, the charge distribution, η is absolute hardness and softness Ϭ, ∆N is number of electrons moved from BMQ to the surface of metal, as well as some electronic parameters, calculated and discussed to understanding the process of corrosion inhibition.

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Publication Date
Fri Oct 01 2010
Journal Name
Saudi Pharmaceutical Journal
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Mon Jul 01 2024
Journal Name
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Journal Name
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Publication Date
Tue Feb 05 2019
Journal Name
Journal Of The College Of Education For Women
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Publication Date
Sat May 11 2024
Journal Name
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