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Research Article Open access CC BY 4.0

DFT Calculations of Mesembryanthemum nodiflorum Compounds as Corrosion Inhibitors of Aluminum

Ghassab M. Al-Mazaideh, Taher S. Ababneh, Khalid H. Abu-Shandi, Rasheed M. A. Q. Jamhour, Haya J. Ayaal Salman, Ashraf M. Al-Msiedeen, Salim M. Khalil

Physical Science International Journal · pp. 1–7 · Published 23 Sep 2016

10.9734/PSIJ/2016/28273

Abstract

Density functional theory (DFT) calculations have been performed on Mesembrine, Mesembrenone, Mesembrenol and Tortuosamine, using Gaussian 03 (G03) program with complete optimization of geometries. Quantum parameters and thermodynamic Gibbs function have been used to investigate the efficiency of the corrosion inhibition of each compound. Mesembrenone has been found to have very good corrosion inhibition efficiency as compared to the other compounds. Quantum parameters and frontier orbitals together with calculated thermodynamic function △G for adsorption show spontaneous physical adsorption of the Mesembrenone on aluminum.  

DFT aluminum inhibitors Mesembryanthemum nodiflorum corrosion

References (25)

  1. 1 Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density [DOI]
  2. 2 Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields [DOI]
  3. 3 Absolute electronegativity and hardness: application to inorganic chemistry [DOI]
  4. 4 Thermodynamic characterization of metal dissolution and inhibitor adsorption processes in mild steel/2,5-bis(n-thienyl)-1,3,4-thiadiazoles/hydrochloric acid system [DOI]
  5. 5 Solvent effects. 1. The mediation of electrostatic effects by solvents [DOI]
  6. 6 Adsorption and inhibitive properties of some new Mannich bases of Isatin derivatives on corrosion of mild steel in acidic media [DOI]
  7. 7 The Role of Frontier Orbitals in Chemical Reactions (Nobel Lecture) [DOI]
  8. 8 Corrosion inhibition of aluminium in acidic and alkaline media by Sansevieria trifasciata extract [DOI]
  9. 9 Adsorption and inhibition effect of 6-benzylaminopurine on cold rolled steel in 1.0M HCl [DOI]
  10. 10 Quantum chemical studies on the corrosion inhibition of some sulphonamides on mild steel in acidic medium [DOI]
  11. 11 Quantum chemical study of some cyclic nitrogen compounds as corrosion inhibitors of steel in NaCl media [DOI]
  12. 12 Electrochemical and quantum chemical calculations on 4,4-dimethyloxazolidine-2-thione as inhibitor for mild steel corrosion in hydrochloric acid [DOI]
  13. 13 Density functional study of the corrosion inhibition properties of 1,2,4-triazole and its amino derivatives [DOI]
  14. 14 Liquid-phase adsorption of phenols using activated carbons derived from agricultural waste material [DOI]
  15. 15 Corrosion inhibitors [DOI]
  16. 16 Quantum chemical investigation and statistical analysis of the relationship between corrosion inhibition efficiency and molecular structure of xanthene and its derivatives on mild steel in sulphuric acid [DOI]
  17. 17 THERMODYNAMIC ANALYSIS OF ADSORPTION MODELS OF PHENOL IN LIQUID PHASE ON DIFFERENT ACTIVATED CARBONS [DOI]
  18. 18 Corrosion inhibition of aluminium in acid solutions by some imidazoline derivatives [DOI]
  19. 19 Acid-Base Interactions in Energetic Materials: I. The Hard and Soft Acids and Bases (HSAB) Principle-Insights to Reactivity and Sensitivity of Energetic Materials [DOI]
  20. 20 Effect of Gongronema latifolium extract on aluminium corrosion in acidic and alkaline media [DOI]
  21. 21 Corrosion inhibition and adsorption behaviour of bismark brown dye on aluminium in sodium hydroxide solution [DOI]
  22. 22 Corrosion Inhibition of Aluminium by Capparis deciduas in Acidic Media [DOI]
  23. 23 Inhibition of Corrosion of Aluminium in Naoh Solution by Leave Extract of Mesembryanthemum Nodiflorum [DOI]
  24. 24 A DFT Study on the Stepwise Fluorinated Methylenecyclopropane ⇋ 1-Methylcyclopropene System [DOI]
  25. 25 A Theoretical Study of the Enol Contents of Cyclohexanone, Cyclopentanone and Acetone [DOI]

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