DFT computational study of pyridazine derivatives as corrosion inhibitors for mild steel in acidic media

Electrochemical assessment of imidazole derivatives as corrosion inhibitors for mild steel in 3.5 NaCl solution

The corrosion inhibition efficiency of benzimidazole, 2-methylbenzimidazole and 2- aminobenzimidazole for mild steel immersed in 3.5 NaCl solution was investigated by electrochemical impedance spectroscopy EIS at concentration range from 10-5 to 10-2 M of imidazoles and temperature range from 30 to 50°C. In addition, DC polarization was examined to determine inhibition mechanism at concentratio...

Computational Simulation of the Adsorption Behavior of Benzimidazolone Derivatives as Inhibitors for Ordinary Steel Corrosion in HCl 1M

The adsorption behavior of Benzimidazol-2-one (Bz), 5-Methylbenzimidazol-2-one(CH3Bz) and 5-Chlorobenzimidazol-2-one (ClBz) as inhibitors for mild steel corrosion in HCl 1M have been studied computationally using density functional theory (DFT) calculations with the hybrid B3LYP functional. The calculations were focused on the protonated forms of the molecules under study, seeing tha...

Quantum chemical studies on adsorption of imidazole derivatives as corrosion inhibitors for mild steel in 3.5 NaCl solution

Adsorption of benzimidazole, 2-methylbenzimidazole and 2-aminobenzimidazole on mild steel in 3.5 NaCl solution was studied using density function theory DFT calculations. In this regard, charge transfer resistance Rct and double layer capacitance Cdl obtained by electrochemical impedance spectroscopy EIS were used to calculate surface coverage and to build prediction models. When prediction mod...

sym-Trisubstituted 1,3,5-Triazine Derivatives as Promising Organic Corrosion Inhibitors for Steel in Acidic Solution.

Triazine derivatives, namely, 2,4,6-tris(quinolin-8-yloxy)-1,3,5-triazine (T3Q), N²,N⁴,N⁶-tris(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (T3AMPy) and 2,2',2''-[(1,3,5-triazine-2,4,6-triyl)tris(azanediyl)] tris(ethan-1-ol) (T3EA) were synthesized and their inhibition of steel corrosion in hydrochloric acid solution was investigated using electrochemical techniques. The corrosion protecti...

Corrosion inhibitory action of some plant extracts on the corrosion of mild steel in acidic media