Theoretical investigation of corrosion inhibition effect of imidazole and its derivatives on mild steel using cluster model

A theoretical approach to understand the inhibition mechanism of steel corrosion with two aminobenzonitrile inhibitors

“…In this occasion proper theoretical modeling and corresponding quantum chemical calculation is very efficient for exploring the relationship between the molecular properties of the inhibitors and its corrosion inhibition efficiencies. [16][17][18][19][20] Corrosion inhibition capability of the molecules can be determined by the frontier molecular orbital energies, energy gap, dipolemoment, global hardness, softness, fraction of electron transfer from the inhibitors molecule to the metallic surface etc. In our previous works, we have successfully investigated the correlation between the quantum chemical calculations and experimentally obtained corrosion inhibition effectiveness of the pyrazine derivatives 21 , mercapto-quinoline derivatives 22 and Schiff base 23 molecules.…”

Nano‐scaled and aggregated films to protect carbon steel from corrosion in hydrochloric acid

“…As known that imidazoline and its derivatives were perfect candidates for corrosion inhibitors mostly ascribed to the strong coordination bond caused from the unbounded electrons on the N atom reacting with the blank d orbit of Fe …”

“…As known that imidazoline and its derivatives were perfect candidates for corrosion inhibitors mostly ascribed to the strong coordination bond caused from the unbounded electrons on the N atom reacting with the blank d orbit of Fe. [36][37][38] The results of XRD are shown in Figure 9. As the BTA-IM existed, all the cementite (Fe 3 C), ferrite (α-Fe) and γ-Fe 2 O 3 signals were reserved when 100 mg L −1 BTA-IM was added (Figure 9a and b).…”

N-methyl-2-(2-nitrobenzylidene) hydrazine carbothioamide — A new corrosion inhibitor for mild steel in 1mol·L−1 hydrochloric acid

“…The presence of >C=N-group in the molecules of schiff bases makes these compounds effective corrosion inhibitors. Many corrosion protection works have been studied with the use of synthetic compounds especially organic compounds [7][8][9]. In the present study an attempt has been made to study the adsorption and inhibition effect N-methyl-2-(2-nitrobenzylidene) hydrazine carbothioamide (MNBHC) as a new inhibitor for the corrosion of mild steel in 1 mol·L -1 HCl using weight loss and electrochemical methods.…”