4-Phenylcoumarin (4-PC) Glucoside from Exostema caribaeum as Corrosion Inhibitor in 3% NaCl Saturated with CO2 in AISI 1018 Steel: Experimental and Theoretical Study

Int J Mol Sci. 2022 Mar 15;23(6):3130. doi: 10.3390/ijms23063130.

Abstract

The corrosion inhibition of 5-O-β-D-glucopyranosyl-7-methoxy-3',4'-dihydroxy-4-phenylcoumarin (4-PC) in AISI 1018 steel immersed in 3% NaCl + CO2 was studied by electrochemical impedance spectroscopy (EIS). The results showed that, at just 10 ppm, 4-PC exerted protection against corrosion with ղ = 90% and 97% at 100 rpm. At static conditions, the polarization curves indicated that, at 5 ppm, the inhibitor presented anodic behavior, while at 10 and 50 ppm, there was a cathodic-type inhibitor. The inhibitor adsorption was demonstrated to be chemisorption, according to the Langmuir isotherm for 100 and 500 rpm. By means of SEM-EDS, the corrosion inhibition was demonstrated, as well as the fact that the organic compound was effective for up to 72 h of immersion. At static conditions, dispersion-corrected density functional theory results reveal that the chemical bonds established by the phenyl group of 4-PC are responsible of the chemisorption on the steel surface. According with Fukui reactivity indices, the molecules adsorbed on the metal surface provide a protective cover against nucleophilic and electrophilic attacks, pointing to the corrosion inhibition properties of 4-PC.

Keywords: 5-O-β-D-glucopyranosyl-7-methoxy-3′,4′-dihydroxy-4-phenylcoumarin; AISI 1018 steel; EIS; inhibitor.

MeSH terms

  • Carbon Dioxide
  • Corrosion
  • Coumarins
  • Glucosides
  • Models, Theoretical
  • Sodium Chloride* / chemistry
  • Sodium Chloride* / pharmacology
  • Steel* / chemistry

Substances

  • Coumarins
  • Glucosides
  • Steel
  • 4-phenylcoumarin
  • Carbon Dioxide
  • Sodium Chloride