Mathematical models predict corrosion inhibition: Comparison
Please note this is a comparison between Version 24 by Evelin Gutiérrez and Version 41 by Evelin Gutiérrez.

The use of corrosion inhibitors is an important method to retard the process of metallic attack by corrosion. The construction of mathematical models from theoretical-computational and experimental data obtained for different molecules is one of the most attractive alternatives in the analysis of corrosion prevention, whose objective is to define those molecular characteristics that are common in high-performance corrosion inhibitors.

  • corrosion inhibition
  • organic inhibitors
  • theoretical studies
  • molecular descriptors
  • mathematical models
Please wait, diff process is still running!

References

  1. Revie, R.W.. Corrosion and Corrosion Control: An Introduction to Corrosion Science and Engineering; John Wiley & Sons, Eds.; .: Hoboken, NJ, USA, 2008; pp. ..Revie, R.W. . Corrosion and Corrosion Control: An Introduction to Corrosion Science and Engineering; John Wiley & Sons, Eds.; .: Hoboken New Jersey, 2008; pp. ..
  2. Roberge, P.R.. Handbook of Corrosion Engineering; McGraw-Hill, Eds.; .: Manhattan, NY, USA, 2000; pp. ..Roberge, P.R. . Handbook of Corrosion Engineering; McGraw-Hill, Eds.; .: New York, 2000; pp. ..
  3. H. Ashassi-Sorkhabi; B. Shaabani; D. Seifzadeh; Corrosion inhibition of mild steel by some schiff base compounds in hydrochloric acid. Applied Surface Science 2005, 239, 154-164, 10.1016/j.apsusc.2004.05.143.
  4. Lutendo C. Murulana; Mwadham M. Kabanda; Eno E. Ebenso; Investigation of the adsorption characteristics of some selected sulphonamide derivatives as corrosion inhibitors at mild steel/hydrochloric acid interface: Experimental, quantum chemical and QSAR studies. Journal of Molecular Liquids 2016, 215, 763-779, 10.1016/j.molliq.2015.12.095.
  5. J. Aljourani; K. Raeissi; M.A. Golozar; Benzimidazole and its derivatives as corrosion inhibitors for mild steel in 1M HCl solution. Corrosion Science 2009, 51, 1836-1843, 10.1016/j.corsci.2009.05.011.
  6. Godínez, L.A.; Meas, Y.; Ortega-Borges, R.; Corona, A.; Los inhibidores de corrosión. Godínez, L. A.; Meas, Y.; Ortega-Borges, R.; Corona, A.; Los inhibidores de corrosión. Rev. Metal. 2003, 39, 140-158.
  7. I. Lukovits; E. Kálmán; F. Zucchi; Corrosion Inhibitors—Correlation between Electronic Structure and Efficiency. Corrosion 2001, 57, 3-8, 10.5006/1.3290328.
  8. A. S. Toloei; V. Stoilov; D. O. Northwood; Simultaneous effect of surface roughness and passivity on corrosion resistance of metals. Materials Characterisation VII 2015, 90, 355-367, 10.2495/mc150321.
  9. M. Benabdellah; A. Dafali; Belkheir Hammouti; A. Aouniti; M. Rhomari; A. Raada; O. Senhaji; J. J. Robin; THE ROLE OF PHOSPHONATE DERIVATIVES ON THE CORROSION INHIBITION OF STEEL IN HCL MEDIA. Chemical Engineering Communications 2007, 194, 1328-1341, 10.1080/00986440701401362.Mansfeld, F.B. . Corrosion Mechanisms; CRC Press, Eds.; .: New York, 1986; pp. ..
  10. Lei Guo; Shanhong Zhu; Shengtao Zhang; Qiao He; Weihua Li; Theoretical studies of three triazole derivatives as corrosion inhibitors for mild steel in acidic medium. CoAouniti, A.; Khaled, K.F.; Hammouti, B.; Correlation Between Inhibition Efficiency and Chemical Structure of Some Amino Acids on the Corrosion of Armco Iron in Molar HCl. Int. J. Electrrosion Science chem. Sci. 2014, 3, 87, 366-375, 10.1016/j.corsci.2014.06.040., 5925-5943.
  11. H. Derya Leçe; Kaan C. Emregül; Orhan Atakol; Difference in the inhibitive effect of some Schiff base compounds containing oxygen, nitrogen and sulfur donors. M. Benabdellah; A. Dafali; Belkheir Hammouti; A. Aouniti; M. Rhomari; A. Raada; O. Senhaji; J. J. Robin; THE ROLE OF PHOSPHONATE DERIVATIVES ON THE CORROSION INHIBITION OF STEEL IN HCL MEDIA. Cohemical Engineerrosion Science ing Communications 2008, 50, 1460-1468, 10.1016/j.corsci.2008.01.014.7, 194, 1328-1341, 10.1080/00986440701401362.
  12. Zarrouk, A.; Zarrok, H.; Salghi, R.; Hammouti, B.; Bentiss, F.; Touir, R.; Bouachrine, M.; Evaluation of N-containing organic compound as corrosion inhibitor for carbon steel in phosphoric acid. J.MateAlokdut Dutta; Sourav Kr. Saha; Priyabrata Banerjee; Dipankar Sukul; Correlating electronic structure with corrosion inhibition potentiality of some bis-benzimidazole derivatives for mild steel in hydrochloric acid: Combined experimental and theoretical studies. Corr. Envosiron. Sci. on Science 2013, 4, 177-192.5, 98, 541-550, 10.1016/j.corsci.2015.05.065.
  13. H. Ashassi-Sorkhabi; B. Shaabani; D. Seifzadeh; Corrosion inhibition of mild steel by some schiff base compounds in hydrochloric acid. AppLukman O. Olasunkanmi; Bryan P. Moloto; Ime B. Obot; Eno E. Ebenso; Anticorrosion studies of some hydantoin derivatives for mild steel in 0.5 M HCl solution: Experimental, quantum chemical, Monte Carlo simulations and QSAR studies. Journal of Molied Surface Science cular Liquids 2005, 18, 25239, 154-164, 10.1016/j.apsusc.2004.05.143., 62-74, 10.1016/j.molliq.2017.11.169.
  14. F. Bentiss; M. Traisnel; M. Lagrenee; The substituted 1,3,4-oxadiazoles: a new class of corrosion inhibitors of mild steel in acidic media. N. Caliskan; E. Akbas; Corrosion inhibition of austenitic stainless steel by some pyrimidine compounds in hydrochloric acid. Materials and Corrosion Science 20100, 42, 127-146, 10.1016/s0010-938x(99)00049-9., 63, 231-237, 10.1002/maco.201005788.
  15. S. P. Cardoso; J. A. C. P. Gomes; L. E. P. Borges; E. Hollauer; Predictive QSPR analysis of corrosion inhibitors for super 13% Cr steel in hydrochloric acid. BM. Ehteshamzadeh; A.H. Jafari; Esmaeel Naderi; M.G. Hosseini; Effect of carbon steel microstructures and molecular structure of two new Schiff base compounds on inhibition performance in 1M HCl solution by EIS. Materazilian Journal of Chemical Engineering als Chemistry and Physics 2007, 24, 547-559, 10.1590/s0104-66322007000400008.9, 113, 986-993, 10.1016/j.matchemphys.2008.08.026.
  16. G Bereket; E Hür; C Öğretir; Quantum chemical studies on some imidazole derivatives as corrosion inhibitors for iron in acidic medium. O S I Fayomi; I G Akande; S Odigie; Economic Impact of Corrosion in Oil Sectors and Prevention: An Overview. Journal of MPhysics: Colecular Structure: THEOCHEM nference Series 2002, 519, 1378, 79-88, 10.1016/s0166-1280(01)00684-4., 1-8, 10.1088/1742-6596/1378/2/022037.
  17. Alokdut Dutta; Sourav Kr. Saha; Priyabrata Banerjee; Dipankar Sukul; Correlating electronic structure with corrosion inhibition potentiality of some bis-benzimidazole derivatives for mild steel in hydrochloric acid: Combined experimental and theoretical studies. CS.G. Zhang; W. Lei; M.Z. Xia; F.Y. Wang; QSAR study on N-containing corrosion inhibitors: Quantum chemical approach assisted by topological index. Jourrosion Science nal of Molecular Structure: THEOCHEM 20105, 98, 541-550, 10.1016/j.corsci.2015.05.065., 732, 173-182, 10.1016/j.theochem.2005.02.091.
  18. Hanane Hamani; Tahar Douadi; Mousa Al-Noaimi; Saifi Issaadi; Djamel Daoud; Salah Chafaa; Electrochemical and quantum chemical studies of some azomethine compounds as corrosion inhibitors for mild steel in 1M hydrochloric acid. M. Lebrini; M. Lagrenée; H. Vezin; M. Traisnel; F. Bentiss; Experimental and theoretical study for corrosion inhibition of mild steel in normal hydrochloric acid solution by some new macrocyclic polyether compounds. Corrosion Science 2014, 88, 234-245, 10.1016/j.corsci.2014.07.044.07, 49, 2254-2269, 10.1016/j.corsci.2006.10.029.
  19. Mohammad Hossein Keshavarz; Karim Esmaeilpour; Ahmad Nozad Golikand; Zeinab Shirazi; Simple Approach to Predict Corrosion Inhibition Efficiency of Imidazole and Benzimidazole Derivatives as well as Linear Organic Compounds Containing Several Polar Functional Groups. ZeitschTaner Arslan; Fatma Kandemirli; Eno E. Ebenso; Ian Love; Hailemichael Alemu; Quantum chemical studies on the corrosion inhibition of some sulphonamides on mild steel in acidic medium. Corift für anorganische und allgemeinosion Science Chemie 20016, 642, 906-913, 10.1002/zaac.201600230.9, 51, 35-47, 10.1016/j.corsci.2008.10.016.
  20. Gamal K. Gomma; Mostafa H. Wahdan; Schiff bases as corrosion inhibitors for aluminium in hydrochloric acid solution. MateM. Elachouri; M.S. Hajji; S. Kertit; E.M. Essassi; M. Salem; R. Coudert; Some surfactants in the series of 2-(alkyldimethylammonio) alkanol bromides as inhibitors of the corrosion of iron in acid chloride solution. Corrialos Chemistry and Physics ion Science 1995, 39, 209-213, 10.1016/0254-0584(94)01436-k.7, 381-389, 10.1016/0010-938x(94)00134-r.
  21. Xianghong Li; Shuduan Deng; Xiaoguang Xie; Experimental and theoretical study on corrosion inhibition of oxime compounds for aluminium in HCl solution. CoA. Saady; F. El-Hajjaji; M. Taleb; K. Ismaily Alaoui; A. El Biache; A. Mahfoud; G. Alhouari; B. Hammouti; D.S. Chauhan; M.A. Quraishi; et al. Experimental and theoretical tools for corrosion inhibition study of mild steel in aqueous hydrochloric acid solution by new indanones derivatives. Materroialsion Scienc Discove ry 2014, 88, 1, 162-175, 10.1016/j.corsci.2013.12.021.2, 30-42, 10.1016/j.md.2018.11.001.
  22. Lebrini,M.; Ross, C.; Vezin, H.; Robert, F; Electrochemical and theoretical studies of adsorption of some indole derivates at C38 steel/sulfuric acid interface as corrosion inhibitors. INnabuk O. Eddy; Benedict I. Ita; QSAR, DFT and quantum chemical studies on the inhibition potentials of some carbozones for the corrosion of mild steel in HCl. Journt.al J. Electrochem. Sci. of Molecular Modeling 2011, 6, 3844-3857., 17, 359-376, 10.1007/s00894-010-0731-7.
  23. Evelin Gutiérrez; José G. Alvarado-Rodríguez; Julián Cruz-Borbolla; Pandiyan Thangarasu; Development of a predictive model for corrosion inhibition of carbon steel by imidazole and benzimidazole derivatives. CorLebrini, M.; Ross, C.; Vezin, H.; Robert, F.; Electrochemical and theoretical studies of adsorption of some indole derivates at C38 steel/sulfuric acid interface as corrosion inhibitors. Int. J. Electrosionchem. Science . 20116, 108, 23-35, 10.1016/j.corsci.2016.02.036., 6, 3844–3857.
  24. Rosa L. Camacho-Mendoza; Evelin Gutiérrez-Moreno; Edmundo Guzmán-Percástegui; Eliazar Aquino-Torres; Julián Cruz-Borbolla; José A. Rodríguez-Ávila; José G. Alvarado-Rodríguez; Oscar Olvera-Neria; Pandiyan Thangarasu; José L. Medina-Franco; et al. Density Functional Theory and Electrochemical Studies: Structure–Efficiency Relationship on Corrosion Inhibition. Journal of Chemical Information and Modeling 2015, 55, 2391-2402, 10.1021/acs.jcim.5b00385.
  25. K.F. Khaled; Modeling corrosion inhibition of iron in acid medium by genetic function approximation method: A QSAR model. Corrosion Science 2011, 53, 3457-3465, 10.1016/j.corsci.2011.01.035.
  26. István Lukovits; Abdul Shaban; Erika Kálmán; Thiosemicarbazides and thiosemicarbazones: non-linear quantitative structure–efficiency model of corrosion inhibition. Electrochimica Acta 2005, 50, 4128-4133, 10.1016/j.electacta.2005.01.029.
  27. N. Khalil; Quantum chemical approach of corrosion inhibition. Electrochimica Acta 2003, 48, 2635-2640, 10.1016/s0013-4686(03)00307-4.
  28. M Özcan; I Dehri; M Erbil; Organic sulphur-containing compounds as corrosion inhibitors for mild steel in acidic media: correlation between inhibition efficiency and chemical structure. Applied Surface Science 2004, 236, 155-164, 10.1016/j.apsusc.2004.04.017.
  29. Majid Gholami; Iman Danaee; Mohammad Hosein Maddahy; Mehdi Rashvandavei; 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. Industrial & Engineering Chemistry Research 2013, 52, 14875-14889, 10.1021/ie402108g.
  30. Carla Marins Goulart; Andressa Esteves-Souza; Carlos Alberto Martinez-Huitle; Ciro José Ferreira Rodrigues; Maria Aparecida Medeiros Maciel; Aurea Echevarria; Experimental and theoretical evaluation of semicarbazones and thiosemicarbazones as organic corrosion inhibitors. Corrosion Science 2013, 67, 281-291, 10.1016/j.corsci.2012.10.029.
  31. Omar Benali; Lahcene Larabi; M. Traisnel; Leon Gengembre; Yahia Harek; Electrochemical, theoretical and XPS studies of 2-mercapto-1-methylimidazole adsorption on carbon steel in 1M HClO4. Applied Surface Science 2007, 253, 6130-6139, 10.1016/j.apsusc.2007.01.075.
  32. A. Saady; F. El-Hajjaji; M. Taleb; K. Ismaily Alaoui; A. El Biache; A. Mahfoud; G. Alhouari; B. Hammouti; D.S. Chauhan; M.A. Quraishi; et al. Experimental and theoretical tools for corrosion inhibition study of mild steel in aqueous hydrochloric acid solution by new indanones derivatives. Materials Discovery 2018, 12, 30-42, 10.1016/j.md.2018.11.001.
  33. M.J. Bahrami; S.M.A. Hosseini; P. Pilvar; Experimental and theoretical investigation of organic compounds as inhibitors for mild steel corrosion in sulfuric acid medium. Corrosion Science 2010, 52, 2793-2803, 10.1016/j.corsci.2010.04.024.
  34. Lukman O. Olasunkanmi; Bryan P. Moloto; Ime B. Obot; Eno E. Ebenso; Anticorrosion studies of some hydantoin derivatives for mild steel in 0.5 M HCl solution: Experimental, quantum chemical, Monte Carlo simulations and QSAR studies. Journal of Molecular Liquids 2018, 252, 62-74, 10.1016/j.molliq.2017.11.169.
  35. E.S Ferreira; C Giacomelli; A Spinelli; Evaluation of the inhibitor effect of l-ascorbic acid on the corrosion of mild steel. Materials Chemistry and Physics 2004, 83, 129-134, 10.1016/j.matchemphys.2003.09.020.
  36. M. Lebrini; M. Lagrenée; H. Vezin; M. Traisnel; F. Bentiss; Experimental and theoretical study for corrosion inhibition of mild steel in normal hydrochloric acid solution by some new macrocyclic polyether compounds. Corrosion Science 2007, 49, 2254-2269, 10.1016/j.corsci.2006.10.029.
  37. N. Caliskan; E. Akbas; Corrosion inhibition of austenitic stainless steel by some pyrimidine compounds in hydrochloric acid. Materials and Corrosion 2010, 63, 231-237, 10.1002/maco.201005788.
  38. Shojaie, F.; Mirzai-Baghini, N.; Molecular dynamics and density functional theory study on the corrosion inhibition of austenitic stainless steel in hydrochloric acid by two pyrimidine compounds. Int. J. Ind. Chem. 2015, 6, 297-310.
  39. Eddy, N.O.; Awe, F.E.; Gimba, C.E.; Ibisi, N.O.; Ebenso, E.E.; QSAR, experimental and computational chemistry simulation studies on the inhibition potentials of some amino acids for the corrosion of mild steel in 0.1 M HCl. Int. J. Electrochem. Sci. 2011, 6, 931-957.
  40. Eddy, N.O.; Ita, B.I.; QSAR, DFT and quantum chemical studies on the inhibition potentials of some carbozones for the corrosion of mild steel in HCl. J. Mol. Model. 2011, 17, 359–376.
  41. Aouniti, A.; Khaled, K.F.; Hammouti, B.; Correlation Between Inhibition Eciency and Chemical Structure of Some Amino Acids on the Corrosion of Armco Iron in Molar HCl. Int. J. Electrochem. Sci. 2013, 8, 5925–5943.
  42. Mehdi Mousavi; Mohammad Mohammadalizadeh; Azita Khosravan; Theoretical investigation of corrosion inhibition effect of imidazole and its derivatives on mild steel using cluster model. Corrosion Science 2011, 53, 3086-3091, 10.1016/j.corsci.2011.05.034.
  43. Fahimeh Shojaie; Nasser Mirzai-Baghini; Molecular dynamics and density functional theory study on the corrosion inhibition of austenitic stainless steel in hydrochloric acid by two pyrimidine compounds. International Journal of Industrial Chemistry 2015, 6, 297-310, 10.1007/s40090-015-0052-x.
  44. Aboelnga, M.M.; Awad, M.K.; Gauld, J.W.; Mustafa, M.R.; An assessment to evaluate the validity of di erent methods for the description of some corrosion inhibitors. J. Mol. Model. 2014, 20, 2422.
  45. Guo Gao; Chenghao Liang; Electrochemical and DFT studies of β-amino-alcohols as corrosion inhibitors for brass. Electrochimica Acta 2007, 52, 4554-4559, 10.1016/j.electacta.2006.12.058.
  46. Fatma Kandemirli; Seda Sagdinc; Theoretical study of corrosion inhibition of amides and thiosemicarbazones. Corrosion Science 2007, 49, 2118-2130, 10.1016/j.corsci.2006.10.026.
  47. El Sayed H. El Ashry; Ahmed El Nemr; Samy A. Essawy; Safaa Ragab; Corrosion inhibitors part V: QSAR of benzimidazole and 2-substituted derivatives as corrosion inhibitors by using the quantum chemical parameters. Progress in Organic Coatings 2008, 61, 11-20, 10.1016/j.porgcoat.2007.08.009.
  48. Udhayakala, P.; Samuel, A.M.; Rajendiran, T.V.; Gunasekaran, S.; DFT study on the adsorption mechanism of some phenyltetrazole substituted compounds as e ective corrosion inhibitors for mild steel. Der Pharma Chem. 2013, 5, 111-124.
  49. José L. Gázquez; Andrés Cedillo; Alberto Vela; Electrodonating and Electroaccepting Powers. The Journal of Physical Chemistry A 2007, 111, 1966-1970, 10.1021/jp065459f.
  50. Lukovits, I.; Shaban, A.; Kálmán, E; Quantitative structure-activity relationships. Russ. J. Electrochem. 2003, 39, 177-181.
  51. Eddy, N.O.; Awe, F.E.; Gimba, C.E.; Ibisi, N.O.; Ebenso, E.E.; QSAR, experimental and computational chemistry simulation studies on the inhibition potentials of some amino acids for the corrosion of mild steel in 0.1 M HCl. Int. J. Electrochem. Sci. 2011, 6, 931–957.
More