Experimental and Theoretical Studies on Inhibition of Carbon Steel Corrosion by 1,5-Diaminonaphthalene

  • Abderrahim Titi
  • Naoual Mechbal
  • Abdelqader El Guerraf
  • Mohamed El Azzouzi
  • Rachid Touzani
  • Belkheir Hammouti
  • Ill-Min Chung
  • Hassane Lgaz


The aim of this study is to investigate the inhibition efficiency of 1,5-diaminonaphthalene (NDA), for mild steel corrosion in 1 M HCl solution. For this purpose, weight loss, electrochemical impedance spectroscopy and potentiodynamic measurements were realized. The effect of NDA on the mild steel corrosion was also studied by quantum chemical calculations. Increasing inhibitor concentration led to significant reduction in the corrosion rate of mild steel, with inhibitor efficiency value above 90%. The corrosion behavior of steel in 1 M HCl without and with the inhibitor at various concentrations was studied at the temperature range of 308–348 K. Potentiodynamic polarization showed that the inhibitor acts as mixed type. The Nyquist plots showed that increasing NDA concentration, polarization resistance increased and double-layer capacitance decreased, involving increased inhibition efficiency. The adsorption of NDA on the mild steel surface was well described by the Langmuir adsorption model. In addition, quantum chemical calculations based on density function theory and molecular dynamic simulations are done to support the accuracy of experimental results.


Mild steel Acid medium Corrosion inhibition Molecular dynamic Electrochemical techniques DFT 


Compliance with Ethical Standards

Conflict of interest

On behalf of all authors, the corresponding author states that there is no conflict of interest.


  1. 1.
    Perumal S, Muthumanickam S, Elangovan A et al (2017) Bauhinia tomentosa leaves extract as green corrosion inhibitor for mild steel in 1 M HCl medium. J Bio Tribo Corros 3:13. CrossRefGoogle Scholar
  2. 2.
    Fouda AE-AS, Etaiw SH, Hammouda M (2017) Corrosion inhibition of aluminum in 1 M H2SO4 by Tecoma non-aqueous extract. J Bio Tribo Corros 3:29. CrossRefGoogle Scholar
  3. 3.
    Fouda AS, Mohamed FS, El-Sherbeni MW (2016) Corrosion inhibition of aluminum–silicon alloy in hydrochloric acid solutions using carbamidic thioanhydride derivatives. J Bio Tribo Corros 2:11. CrossRefGoogle Scholar
  4. 4.
    Messali M, Lgaz H, Dassanayake R et al (2017) Guar gum as efficient non-toxic inhibitor of carbon steel corrosion in phosphoric acid medium: electrochemical, surface, DFT and MD simulations studies. J Mol Struct 1145:43–54. CrossRefGoogle Scholar
  5. 5.
    Lgaz H, Salghi R, Subrahmanya Bhat K et al (2017) Correlated experimental and theoretical study on inhibition behavior of novel quinoline derivatives for the corrosion of mild steel in hydrochloric acid solution. J Mol Liq 244:154–168. CrossRefGoogle Scholar
  6. 6.
    Musa AY, Kadhum AAH, Mohamad AB et al (2010) Electrochemical and quantum chemical calculations on 4, 4-dimethyloxazolidine-2-thione as inhibitor for mild steel corrosion in hydrochloric acid. J Mol Struct 969:233–237CrossRefGoogle Scholar
  7. 7.
    Özcan M, Karadağ F, Dehri I (2008) Investigation of adsorption characteristics of methionine at mild steel/sulfuric acid interface: an experimental and theoretical study. Colloids Surf Physicochem Eng Asp 316:55–61CrossRefGoogle Scholar
  8. 8.
    Fouda AS, Megahed HE, Fouad N, Elbahrawi NM (2016) Corrosion inhibition of carbon steel in 1 M hydrochloric acid solution by aqueous extract of Thevetia peruviana. J Bio Tribo Corros 2:16. CrossRefGoogle Scholar
  9. 9.
    Tezeghdenti M, Dhouibi L, Etteyeb N (2015) Corrosion inhibition of carbon steel in 1 M sulphuric acid solution by extract of Eucalyptus globulus leaves cultivated in Tunisia arid zones. J Bio Tribo Corros 1:16. CrossRefGoogle Scholar
  10. 10.
    Paul S, Koley I (2016) Corrosion inhibition of carbon steel in acidic environment by papaya seed as green inhibitor. J Bio Tribo Corros 2:6. CrossRefGoogle Scholar
  11. 11.
    Elgahawi H, Gobara M, Baraka A, Elthalabawy W (2017) Eco-friendly corrosion inhibition of AA2024 in 3.5% NaCl using the extract of Linum usitatissimum seeds. J Bio Tribo Corros 3:55. CrossRefGoogle Scholar
  12. 12.
    Jafari H, Akbarzade K (2017) Effect of concentration and temperature on carbon steel corrosion inhibition. J Bio Tribo Corros 3:8. CrossRefGoogle Scholar
  13. 13.
    Kandemirli F, Sagdinc S (2007) Theoretical study of corrosion inhibition of amides and thiosemicarbazones. Corros Sci 49:2118–2130CrossRefGoogle Scholar
  14. 14.
    Xie S-W, Liu Z, Han G-C et al (2015) Molecular dynamics simulation of inhibition mechanism of 3,5-dibromo salicylaldehyde Schiff’s base. Comput Theor Chem 1063:50–62. CrossRefGoogle Scholar
  15. 15.
    Zhang Z, Tian N, Zhang L, Wu L (2015) Inhibition of the corrosion of carbon steel in HCl solution by methionine and its derivatives. Corros Sci 98:438–449. CrossRefGoogle Scholar
  16. 16.
    El Aoufir Y, El Bakri Y, Lgaz H et al (2017) Understanding the adsorption of benzimidazole derivative as corrosion inhibitor for carbon steel in 1 M HCl: experimental and theoretical studies. J Mater Environ Sci 8:3290–3302Google Scholar
  17. 17.
    Azzaoui K, Mejdoubi E, Jodeh S et al (2017) Eco friendly green inhibitor Gum Arabic (GA) for the corrosion control of mild steel in hydrochloric acid medium. Corros Sci 129:70–81CrossRefGoogle Scholar
  18. 18.
    ASTM Committee G-1 on Corrosion of Metals (2011) Standard practice for preparing, cleaning, and evaluating corrosion test specimens. ASTM International, West ConshohockenGoogle Scholar
  19. 19.
    Becke AD (1988) Density-functional exchange-energy approximation with correct asymptotic behavior. Phys Rev A 38:3098–3100. CrossRefGoogle Scholar
  20. 20.
    Lee C, Yang W, Parr RG (1988) Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys Rev B 37:785–789. CrossRefGoogle Scholar
  21. 21.
    Frisch M, Trucks G, Schlegel H et al (2009) 01. Gaussian, Inc, WallingfordGoogle Scholar
  22. 22.
    Gholami M, Danaee I, Maddahy MH, RashvandAvei M (2013) Correlated ab initio and electroanalytical study on inhibition behavior of 2-mercaptobenzothiazole and its thiole–thione tautomerism effect for the corrosion of steel (API 5L X52) in sulphuric acid solution. Ind Eng Chem Res 52:14875–14889CrossRefGoogle Scholar
  23. 23.
    Pearson RG (1988) Absolute electronegativity and hardness: application to inorganic chemistry. Inorg Chem 27:734–740CrossRefGoogle Scholar
  24. 24.
    Sastri V, Perumareddi J (1997) Molecular orbital theoretical studies of some organic corrosion inhibitors. Corrosion 53:617–622CrossRefGoogle Scholar
  25. 25.
    Martinez S (2003) Inhibitory mechanism of mimosa tannin using molecular modeling and substitutional adsorption isotherms. Mater Chem Phys 77:97–102CrossRefGoogle Scholar
  26. 26.
    Cao Z, Tang Y, Cang H et al (2014) Novel benzimidazole derivatives as corrosion inhibitors of mild steel in the acidic media. Part II: theoretical studies. Corros Sci 83:292–298CrossRefGoogle Scholar
  27. 27.
    Kokalj A (2012) On the HSAB based estimate of charge transfer between adsorbates and metal surfaces. Chem Phys 393:1–12CrossRefGoogle Scholar
  28. 28.
    Saha SK, Murmu M, Murmu NC, Banerjee P (2016) Evaluating electronic structure of quinazolinone and pyrimidinone molecules for its corrosion inhibition effectiveness on target specific mild steel in the acidic medium: a combined DFT and MD simulation study. J Mol Liq 224:629–638CrossRefGoogle Scholar
  29. 29.
    Bunte SW, Sun H (2000) Molecular modeling of energetic materials: the parameterization and validation of nitrate esters in the COMPASS force field. J Phys Chem B 104:2477–2489CrossRefGoogle Scholar
  30. 30.
    Kaya S, Tüzün B, Kaya C, Obot IB (2016) Determination of corrosion inhibition effects of amino acids: quantum chemical and molecular dynamic simulation study. J Taiwan Inst Chem Eng 58:528–535. CrossRefGoogle Scholar
  31. 31.
    Khaled K, El-Maghraby A (2014) Experimental, Monte Carlo and molecular dynamics simulations to investigate corrosion inhibition of mild steel in hydrochloric acid solutions. Arab J Chem 7:319–326CrossRefGoogle Scholar
  32. 32.
    Verma C, Quraishi MA, Singh A (2015) 2-Amino-5-nitro-4,6-diarylcyclohex-1-ene-1,3,3-tricarbonitriles as new and effective corrosion inhibitors for mild steel in 1 M HCl: experimental and theoretical studies. J Mol Liq 212:804–812. CrossRefGoogle Scholar
  33. 33.
    Yadav M, Kumar S, Sinha RR et al (2015) New pyrimidine derivatives as efficient organic inhibitors on mild steel corrosion in acidic medium: electrochemical, SEM, EDX, AFM and DFT studies. J Mol Liq 211:135–145. CrossRefGoogle Scholar
  34. 34.
    Yadav M, Gope L, Kumari N, Yadav P (2016) Corrosion inhibition performance of pyranopyrazole derivatives for mild steel in HCl solution: gravimetric, electrochemical and DFT studies. J Mol Liq 216:78–86. CrossRefGoogle Scholar
  35. 35.
    Verma C, Ebenso EE, Bahadur I et al (2015) 5-(Phenylthio)-3H-pyrrole-4-carbonitriles as effective corrosion inhibitors for mild steel in 1 M HCl: experimental and theoretical investigation. J Mol Liq 212:209–218. CrossRefGoogle Scholar
  36. 36.
    El-Rehim SA, Ibrahim MA, Khaled K (1999) 4-Aminoantipyrine as an inhibitor of mild steel corrosion in HCl solution. J Appl Electrochem 29:593–599CrossRefGoogle Scholar
  37. 37.
    Mu G, Zhao T, Liu M, Gu T (1996) Effect of metallic cations on corrosion inhibition of an anionic surfactant for mild steel. Corrosion 52:853–856CrossRefGoogle Scholar
  38. 38.
    Salghi R, Jodeh S, Ebenso EE et al (2017) Inhibition of C-steel corrosion by green tea extract in hydrochloric solution. Int J Electrochem Sci 12:3283–3295. CrossRefGoogle Scholar
  39. 39.
    Singh P, Srivastava V, Quraishi MA (2016) Novel quinoline derivatives as green corrosion inhibitors for mild steel in acidic medium: electrochemical, SEM, AFM, and XPS studies. J Mol Liq 216:164–173. CrossRefGoogle Scholar
  40. 40.
    Gomma GK, Wahdan MH (1995) Schiff bases as corrosion inhibitors for aluminium in hydrochloric acid solution. Mater Chem Phys 39:209–213CrossRefGoogle Scholar
  41. 41.
    Zhang F, Tang Y, Cao Z et al (2012) Performance and theoretical study on corrosion inhibition of 2-(4-pyridyl)-benzimidazole for mild steel in hydrochloric acid. Corros Sci 61:1–9CrossRefGoogle Scholar
  42. 42.
    Zhao P, Liang Q, Li Y (2005) Electrochemical, SEM/EDS and quantum chemical study of phthalocyanines as corrosion inhibitors for mild steel in 1 mol/l HCl. Appl Surf Sci 252:1596–1607CrossRefGoogle Scholar
  43. 43.
    Lgaz H, Subrahmanya Bhat K, Salghi R et al (2017) Insights into corrosion inhibition behavior of three chalcone derivatives for mild steel in hydrochloric acid solution. J Mol Liq 238:71–83. CrossRefGoogle Scholar
  44. 44.
    Kumar R, Chahal S, Kumar S et al (2017) Corrosion inhibition performance of chromone-3-acrylic acid derivatives for low alloy steel with theoretical modeling and experimental aspects. J Mol Liq 243:439–450. CrossRefGoogle Scholar
  45. 45.
    Lgaz H, Salghi R, Jodeh S, Hammouti B (2017) Effect of clozapine on inhibition of mild steel corrosion in 1.0 M HCl medium. J Mol Liq 225:271–280. CrossRefGoogle Scholar
  46. 46.
    Fouda A, Elewady G, Shalabi K, El-Aziz HA (2015) Alcamines as corrosion inhibitors for reinforced steel and their effect on cement based materials and mortar performance. RSC Adv 5:36957–36968CrossRefGoogle Scholar
  47. 47.
    Oguzie E, Chidiebere M, Oguzie K et al (2014) Biomass extracts for materials protection: corrosion inhibition of mild steel in acidic media by Terminalia chebula extracts. Chem Eng Commun 201:790–803CrossRefGoogle Scholar
  48. 48.
    Zhang Z, Tian NC, Huang XD et al (2016) Synergistic inhibition of carbon steel corrosion in 0.5 M HCl solution by indigo carmine and some cationic organic compounds: experimental and theoretical studies. RSC Adv 6:22250–22268. CrossRefGoogle Scholar
  49. 49.
    El Aoufir Y, Sebhaoui J, Lgaz H et al (2017) Corrosion inhibition of carbon steel in 1 M HCl by 1,5-benzodiazepine derivative: experimental and molecular modeling studies. J Mater Environ Sci 8:2161–2173Google Scholar

Copyright information

© Springer International Publishing AG, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Laboratory of Applied Analytical Chemistry, Materials and Environment (LCA2ME), Faculty of SciencesMohammed Premier UniversityOujdaMorocco
  2. 2.Laboratory of Applied Chemistry and Environment, LCAE, COSTE, Faculty of SciencesMohammed Premier UniversityOujdaMorocco
  3. 3.Multidisciplinary FacultyMohammed Premier UniversitySelouaneMorocco
  4. 4.Department of Applied Bioscience, College of Life and Environment ScienceKonkuk UniversitySeoulSouth Korea
  5. 5.Laboratory Separation Processes, Faculty of ScienceUniversity Ibn TofailKenitraMorocco
  6. 6.Laboratory of Applied Chemistry and Environment, ENSAIbn Zohr UniversityAgadirMorocco

Personalised recommendations