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N1,N2-Bis(1-Phenylethylidene)ethane-1,2-diamine (PE ED) was tested as a corrosion inhibitor for C-steel in a 1.0 M HCl solution, by u sing potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techni ques. The results showed that PEED is a very good inhibitor, as its inhibition ef ficiency reached 93.8 %, with a concentration of 1.0x10 -3 M, at 298 K. Tafel polarization study revealed that PEED acted as a mixed type inhibitor that obeyed Langmui r adsorption isotherm. The thermodynamic activation parameters for the corrosi on reaction were calculated and discussed. Quantum chemical parameters and Fukui fu nction were obtained by DMol/GGA/PW91/DNP+ level of theory, which was performed using Materials Studiov 8.0 software from Biovia-Accelrys. Monte Carlo simulation was implemented to search for the equilibrium configurations of the PEED/Fe(111) adsorption system, in a 1.0 M hydrochloric acid solution.

portugaliae electrochimica acta

Electrochemical, Quantum Calculations and Monte Carlo Simulation Studies of N1,N2-Bis(1-Phenylethylidene) Ethane-1,2-Diamine as a Corrosion Inhibitor for Carbon Steel in a 1.0 M Hydrochloric Acid Solution