Electrochemical and Theoretical Studies of Novel Synthesized Benzimidazole Derivatives as Corrosion Inhibitors for Carbon Steel in 1 M HCl

New corrosion inhibitors of benzimidazole derivatives, namely: 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-vinyl-1H-benzo[d]imidazole (EMSB), 6-Methoxy-2-(((4-methoxy-3,5 -dimethylpyridin-2-yl)methyl)) sulfinyl)-1-(prop-2-yn-1-yl)-1H benzimidazole (MSVB) and 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-(phenacyl)-1-H benzimidazole (MSBP), have been synthesized and their inhibiting action on the corrosion of carbon steel in acidic bath (1 M HCl) has been investigated by various corrosion monitoring techniques, such as weight loss measurement, potentiodynamic polarization, adsorption, electrochemical impedance spectroscopy (EIS) and basic computational calculations. The results of the investigation show that the inhibition efficiency of all the three inhibitors increases with increase in concentration of inhibitors and decreases with increase in temperature. The inhibitors, MSBP, MSVP, and EMSB show corrosion inhibition efficiency of 98, 97 and 93% respectively, at 10(-3) M and 303 K. EIS measurements showed an increase of the transfer resistance with the inhibitors concentration. Polarization studies showed that the studied inhibitors are mixed type in nature and the adsorption of benzimidazole is described by the Langmuir isotherm. In addition, density functional theory (DFT) calculations and molecular dynamics simulations (MDS) were undertaken to describe the electronic and adsorption properties of the synthesized inhibitors constituents, including the synergistic/dispersive interactive effects of the multiple adsorptions of the various active constituents in the inhibitor film on the iron surface. Also DFT and Molecular dynamic (MD) simulations were employed to correlate the experimental findings.