Theoretical Calculations

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N-containing Organic compound As An Effective Corrosion Inhibitor For Copper In 2M HNO3: Weight Loss and Quantum Chemical Study

Journal Title, Volume, Page: 
Scholars Research Library Der Pharma Chemica, 2011, 3 (5): 263-271
Year of Publication: 
2011
Authors: 
A. Zarrouk
LCAE-URAC18, Faculté des Sciences, Universite Moham med Premier, Oujda, Morocco
B. Hammouti
LCAE-URAC18, Faculté des Sciences, Universite Moham med Premier, Oujda, Morocco
H. Zarrok
Laboratoire des procèdes de séparation, Faculté des Sciences, Kénitra, Morocco
I. Warad
Department of Chemistry, King Saud University, Riya dh, Saudi Arabia
Current Affiliation: 
Department of Electrical Engineering, Engineering Faculty, An-Najah National University, Nablus 97300, Palestine
M. Bouachrine
UMIM, Faculté Polydisciplinaire de Taza, Université Sidi Mohamed Ben Abdellah, Taza, Morocco
Preferred Abstract (Original): 
2Z)-1-(4-chlorophenyl)-2-[(3E)-3-[2-(4-chloropheny l)-2-oxoethylidene]-3,4dihydro quinoxalin- 2 (1H)-ylidene]ethanone (Q4) was tested as inhibito r for the corrosion of copper in 2M HNO 3 using gravimetric method at 303 – 343 K. The inhibi tor (Q4) showed about 90% inhibition efficiency (E (%)) at an optimum concentration of 1 0 -3 M. The inhibition efficiency increases with increase in inhibitor concentration but decrease wi th rise in temperature. Various parameters (Ea , ∆G ° ads , K ads ) for adsorption reveal a strong interaction betwee n inhibitor and copper surface. The negative values of ∆G° ads indicate the spontaneous adsorption of the inhibit or on copper surface. Kinetic parameters activation such as a E , aH °∆ , aS °∆ and pre-exponential factor have been calculated and discussed. Further, theore tical calculations were carried out and relations between computed parameters and experimen tal inhibition efficiency were discussed.
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