A complementary experimental and in silico studies on the action of fluorophenyl-2,2′-bichalcophenes as ecofriendly corrosion inhibitors and biocide agents

The inhibition effect of fluorophenyl-2,2'-bichalcophenes on corrosion of carbon steel (C-steel) in 1.0 M hydrochloric acid (HCl) was investigated using various experimental techniques combined with quantum chemical calculations and atomistic modeling methodologies. Significant corrosion protection was demonstrated with the addition of the investigated inhibitors and 4-([2,2'-bithiophen]-5-yl)-2-fluorobenzamidine (MA-1156) exhibited very promising %IE (98%) at 18 x 10(-6) M by Atomic Absorption Spectroscopy analysis. The studied compounds are classified as mixed-type inhibitors based on the potentiodynamic polarization results and the adsorption of compounds on C-steel surface was best described by Langmuir isotherm. The interaction of inhibitor compounds on Fe surface was deeply explored by Monte Carlo simulation in vacuum, water and acid solutions. The binding interaction of inhibitors was almost strengthened in acid solutions. In addition, the biocidal action of compounds against the growth of bacteria responsible for microbial influenced corrosion (MIC) was demonstrated. This served dual functions which would be beneficial from both an economic and environmental point of view. (C) 2018 Elsevier B.V. All rights reserved.