Research on Chemical Intermediates

, Volume 38, Issue 8, pp 1761–1779

Experimental and theoretical investigations of adsorption characteristics of itraconazole as green corrosion inhibitor at a mild steel/hydrochloric acid interface

  • I. B. Obot
  • E. E. Ebenso
  • N. O. Obi-Egbedi
  • Ayo S. Afolabi
  • Zuhair M. Gasem

DOI: 10.1007/s11164-012-0501-5

Cite this article as:
Obot, I.B., Ebenso, E.E., Obi-Egbedi, N.O. et al. Res Chem Intermed (2012) 38: 1761. doi:10.1007/s11164-012-0501-5


The adsorption and inhibition effect of itraconazole (ICZ) on mild steel in 0.5 M HCl at 303–333 K was studied using gravimetric and quantum chemical methods. The adsorption of ICZ has been tested thermodynamically and was found to be mainly a physical adsorption mechanism and weak chemisorption. The activation and thermodynamic functions (such as Ea, \( \Updelta H^{*} ,\,\Updelta G_{\text{ads}}^{\text{o}} \)) of dissolution and adsorption processes have been evaluated and discussed. The analyses of the results obtained showed that ICZ inhibits the corrosion of mild steel effectively at moderate temperatures and adsorbs according to the Temkin adsorption isotherm. An attempt to correlate the molecular structure to quantum chemical indices was made using a semi-empirical (PM3) method. Results of the theoretical study indicate that nitrogen and oxygen atoms (O10, O13, N17, N19, O21, N28, N42, N43, and O45) were the reactive sites.


ItraconazoleMild steelCorrosion inhibitorsPM3Hydrochloric acid

Copyright information

© Springer Science+Business Media B.V. 2012

Authors and Affiliations

  • I. B. Obot
    • 1
  • E. E. Ebenso
    • 2
  • N. O. Obi-Egbedi
    • 3
  • Ayo S. Afolabi
    • 4
  • Zuhair M. Gasem
    • 5
  1. 1.Department of ChemistryFaculty of Science, University of UyoUyoNigeria
  2. 2.Department of ChemistryNorth West University MmabathoSouth Africa
  3. 3.Department of ChemistryUniversity of Ibadan IbadanNigeria
  4. 4.Department of Civil and Chemical EngineeringUniversity of South AfricaJohannesburgSouth Africa
  5. 5.Department of Mechanical EngineeringKing Fahd University of Petroleum and MineralsDhahranSaudi Arabia