Theoretical Studies of Anti-corrosion Properties of Triphenylimidazole Derivatives in Corrosion Inhibition of Carbon Steel in Acidic Media via DFT Approach

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Kolawole Oyebamiji Abel; Banjo Semire

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Paper Information

Journal: ANALYTICAL AND BIOANALYTICAL ELECTROCHEMISTRY Year:2018 | Volume:10 | Issue:1 Page(s): 136-146

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Title

Theoretical Studies of Anti-corrosion Properties of Triphenylimidazole Derivatives in Corrosion Inhibition of Carbon Steel in Acidic Media via DFT Approach

Author(s)

Kolawole Oyebamiji Abel | Banjo Semire | Issue Writer Certificate

Keywords

Triphenylimidazole derivatives

Corrosion Inhibition

Molecular Descriptors

Carbon Steel

DFT

Abstract

Quantum chemical calculations via B3LYP/6-31G(d. p) level were carried out on 2, 4, 5-triphenyl-4, 5-dihydro-1H-imidazole (P1) and 2-(4, 5-diphenyl-4, 5-dihydro-1H-imidazol-2-yl)phenol (P2) which were used as corrosion inhibitors for carbon steel in acidic media. The parameters like HOMO and LUMO energies, energy band gap, dipole moment, chemical potential (μ ), chemical hardness (ղ ) and global nucleophilicity (ɷ ) were calculated and argued in relation to the observed inhibitory efficiency for the studied compounds. Also, the effect of hydroxyl group substituent on the operation of corrosion inhibition of Triphenylimidazole derivatives was observed.

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APA: Copy

Kolawole, Oyebamiji Abel, & Banjo, Semire. (2018). Theoretical Studies of Anti-corrosion Properties of Triphenylimidazole Derivatives in Corrosion Inhibition of Carbon Steel in Acidic Media via DFT Approach. ANALYTICAL & BIOANALYTICAL ELECTROCHEMISTRY, 10(1), 136-146. SID. https://sid.ir/paper/346636/en

Vancouver: Copy

Kolawole Oyebamiji Abel, Banjo Semire. Theoretical Studies of Anti-corrosion Properties of Triphenylimidazole Derivatives in Corrosion Inhibition of Carbon Steel in Acidic Media via DFT Approach. ANALYTICAL & BIOANALYTICAL ELECTROCHEMISTRY[Internet]. 2018;10(1):136-146. Available from: https://sid.ir/paper/346636/en

IEEE: Copy

Oyebamiji Abel Kolawole, and Semire Banjo, “Theoretical Studies of Anti-corrosion Properties of Triphenylimidazole Derivatives in Corrosion Inhibition of Carbon Steel in Acidic Media via DFT Approach,” ANALYTICAL & BIOANALYTICAL ELECTROCHEMISTRY, vol. 10, no. 1, pp. 136–146, 2018, [Online]. Available: https://sid.ir/paper/346636/en

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