dc.description.abstract | A new benzimidazolium salt (1-Allyl-3-(2,3,5,6-tetramethylbenzyl)-
5,6-dimethylbenzimidazoliumchloride) is characterized by using 1H
NMR and 13C(1H) NMR spectroscopies. The corrosion inhibition
performance of benzimidazolium salt for mild steel in an acidic
medium is investigated with the help of both experimental and
theoretical tools. The experimental part of inhibition analysis
includes the use of electrochemical impedance spectroscopy (EIS),
linear sweep voltammetry, potentiodynamic polarization techniques,
and surface characterizations are made. In the theoretical
part, Density Functional Theory calculations are performed to discuss
the corrosion inhibition efficiency using quantum chemical
parameters. Molecular Dynamic Simulation calculation is made to
analyze adsorption properties and characteristics of synthesized
molecules on mild steel. Experimental studies show that the
inhibition efficiency is calculated as 97.6% from EIS results for
5 10 3 M inhibitor. Both experimental analyses and theoretical
calculations proved that the studied inhibitor molecule is exhibiting
higher inhibition efficiency. | tr |