THERMODYNAMIC INVESTIGATION AND QUANTUM CHEMICAL EVALUATION OF n-HEXANE EXTRACTS OF Costus lucanusianus AS CORROSION INHIBITORS FOR MILD STEEL AND ALUMINUM IN 1 M HCl SOLUTION
Journal of Applied Physical Science International,
Page 6-27
Abstract
n-Hexane extracts of Costus lucanusianus stem and leaves were used for corrosion inhibition of mild steel and aluminium in 1 M HCl at concentrations of 0.1 g/L, 0.2 g/L, 0.5 g/L, 0.7 g/L and 1 g/L using thermo-gravimetric analysis (303 K – 333 K). In 1g/L, n-Hexane stem extract had maximum inhibition efficiency of 85 % at 333 K and 78% at 303 K for mild steel and aluminium respectively. Addition of extracts to acid solution increased values of Ea. Positive values of ΔH indicated endothermic adsorption process. Negative values of ΔS indicated decrease in disorderliness of the system. Negative values of ΔG (-2.95 KJ/mol to -4.10 KJ/mol) indicated physisorption mechanism. The adsorption was found to obey Freundlich isotherm. GCMS analysis showed major components of the extracts labelled n-Hexane stem extract (n-HSE) and n-Hexane leave extract (n-HLE) as 2,2'-methylenebis-1H–isoindole-1,3(2H)-dione (33.29%) and triacontanoic acid methylester (61.01%) respectively. Quantum chemical calculations were performed using Density Functional Theory with complete geometry optimization for calculations of EHOMO, ELUMO and energy gap. The energy gaps were 3.03 eV and 5.34 eV for n-HSE and n-HLE respectively. The softness (σ) values indicated that components of n-HSE are soft molecules; and are more reactive than n-HLE. This observation was consistent with results obtained from experimental inhibition efficiencies.
Keywords:
- Corrosion
- density functional theory
- freundlich
- thermo-gravimetric
- thermodynamics
- adsorption isotherm
How to Cite
OBOT, A. S., BOEKOM, E. J., ITUEN, E. B., UGI, B. U., ESSIEN, K. E., & JONAH, N. B. (2021). THERMODYNAMIC INVESTIGATION AND QUANTUM CHEMICAL EVALUATION OF n-HEXANE EXTRACTS OF Costus lucanusianus AS CORROSION INHIBITORS FOR MILD STEEL AND ALUMINUM IN 1 M HCl SOLUTION. Journal of Applied Physical Science International, 13(3), 6-27. Retrieved from https://ikppress.org/index.php/JAPSI/article/view/7147
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Barbouchi M, Benzidia B, Aouidate A, Ghaleb A, El M, Choukrad M. Theoretical modeling and experimental studies of Terebinth extracts as green corrosion inhibitor for iron in 3 % NaCl medium. Journal of King Saud University – Science. 2020;32(7):2995–3004. Available:https://doi.org/10.1016/j.jksus.2020.08.004
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Eddy NO, Awe FE, Siaka AA, Magaji L, Ebenso EE. Chemical information from GC-MS studies of ethanol extract of Andrographis paniculata and their corrosion inhibition potentials on aluminium in HCl solution. International Journal of Electrochemical Science. 2011;6:4316–4328.
Mahgoub FM, Hefnawy AM, Alrazzaq EHA. Corrosion inhibition of mild steel in acidic solution by leaves and stem extract of Acacia nilotica. Desalination and Water Treatment. 2019;169:49–58. DOI: 10.5004/dwt.2019.24681
Akalezi CO, Oguzie EE. Evaluation of anticorrosion properties of Chrysophyllum Albidum leaves extract for mild steel protection in acidic media. International Journal of Industrial Chemistry. 2016;7:81–92. Available:https://doi.org/10.1007/s40090-015-0057-5
Ali IH, Suleiman HA. Effects of acid extract of leaves of Juniperus procera on corrosion inhibition of carbon steel in HCl solution. International Journal of Electrochemical Science. 2018;13:3910–3922. Available:http://dx.doi.org/10.20964/2018.04.01
Ugi BU. Effects of Nitrogen Atoms in Vindoline Alkaloids as Fe2+ Ions Inhibitor in Corrosion of Gray Iron in Dilute HCl Environment: Potentiodynamic Polarization, Gravimetric Analysis and SEM. Journal of Materials and Environmental Science. 2020; 11(8):1274–1285. Available:http://www.jmaterenvironsci.com
Uwah I, Ikeuba A, Ugi B, Udowo V. Comparative study of the inhibition effects of alkaloid and non-alkaloid fractions of the ethanolic extracts of Costus afer stem on the corrosion of aluminium in 5 M HCl solution. Global Journal of Pure and Applied Sciences. 2013;19(1):23–31. Available:https://doi.org/10.4314/gjpas.v19i1.4
Obot IB, Obi-Egbedi NO. Theoretical study of benzimidazole and its derivatives and their potential activity as corrosion inhibitors. Corrosion Science. 2010;52(2):657–660. Available:https://doi.org/10.1016/j.corsci.2009.10.017
Abdollahi F, Foroughi MM, Zandi SM, Kazemipour M. Electrochemical Investigation of Meloxicam Drug as a Corrosion Inhibitor for Mild Steel in Hydrochloric and Sulfuric Acid Solutions. Progress in Color, Colorant and Coatings. 2020;13(3):155–165. Available:https://www.sid.ir/en/journal/ViewPaper.aspx?id=716072
Bashir S, Sharma V, Ghelichkhah Z, Obot IB, Kumar S. Inhibition performances of nicotinamide against aluminium corrosion in an acidic medium. Portugaliae Electrochimica Acta. 2020;38(2):107–123. DOI: 10.4152/pea.202002107
Bensouda Z, Elassiri E, Galai M, Sfaira M, Farah A, Touhami ME. Corrosion Inhibition of Mild Steel in 1 M HCl Solution by Artemisia abrotanum Essential Oil as an Eco-Friendly Inhibitor. Journal of Materials and Environmental Sciences. 2018;9(6):1851–1865. Available:https://doi.org/10.26872/jmes.2018.9.6.205
Santosa A, Almeida T, Cotting F, Aoki IV, Melo HG, Capelossi VR. Evaluation of Castor Bark Powder as a Corrosion Inhibitor for Carbon Steel in Acidic Media. Materials Research. 2017;20:492–505. Available:https://doi.org/10.1590/1980-5373-MR-2016-0963
Deyab M. Effect of cationic surfactant and inorganic anions on the electrochemical behaviour of carbon steel in formation water. Corrosion Science. 2007;49(5):2315–2328. Available:https://doi.org/10.1016/j.corsci.2006.10.035
Luo X, Ci C, Li J, Lin K, Du S, Zhang H, Liu Y. 4-aminoazobenzene modified natural glucomannan as a green eco-friendly inhibitor for the mild steel in 0.5 M HCl solution. Corrosion Science. 2019;151:132–142. Available:https://doi.org/10.1016/j.corsci.2019.02.027
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