The Theoretical Investigations and Molecular Dynamic Stimulation of Isoniazid as a Corrosion Inhibitor
Asian Journal of Research in Medical and Pharmaceutical Sciences,
API5L Steel is known as one of the most useful materials on earth which is also subject to corrosion in certain environments. Many methods have been used to minimize its corrosion, but the use of inhibitors is widely accepted. The use of green inhibitors has gained wide usage because of their environmental friendliness. The theoretical investigations of isoniazid as corrosion inhibitor was carried out using Fourier transform infrared spectroscopy (FTIR), whereas theoretically, quantum chemical parameters and molecular dynamic simulations of the inhibitor were studied. The analyses of the experimental results showed that the expired drug (isoniazid) decreased the corrosion rate of API5L steel in a 0.5M H2SO4 medium. The inhibition efficiency decreased with a decrease in inhibitor concentration. FTIR results showed that the inhibition mechanism is physical through the functional groups present in the expired drug. Relying on quantum chemical parameters and molecular dynamic simulations results, the adsorption/binding strength of the concerned inhibitor molecule on API5L steel surface follows a good order. The computed adsorption/binding energy values (Eads) for the various isolated concentrations from the inhibitor indicate the adsorption process to be non-covalent (physiosorption) which is in good agreement with the literature.
- Molecular dynamics
How to Cite
Shittu SA, Oloruntoba DT, Aribo S. Adediran AA, Ogunbadejo AS. Comparative Study of the effect of Imidazole and Triethylentetramine on the corrosion behavior of API-5L-x65 steel in 1m HCl Environment. International Journal of Mechanical and Production Engineering Research and Development (IJMPERD). ISSN (E): 2249–8001. 10(2):443–452.
Sherif ESM, Almajid AA, Khalil AK, Junaedi H, Latief FH. Electrochemical Studies on the Corrosion Behavior of API X-65 Pipeline Steel in Chloride Solutions, Int. J. Electrochem. Sci. 2013;8:9360–9370.
Junaedi S, Al-Amiery AA, Kadihum A, Kadhum AAH, Mohamad AB. Inhibition Effects of A Synthesized Novel 4-Aminoantipyrine Derivative on the Corrosion of Mild Steel In Hydrochloric Acid Solution Together With Quantum Chemical Studies, Int. J. Mol. Sci. 2013;14:11915–11928.
Hu X, Neville A. CO2 erosion-corrosion of pipeline steel (API X65) in oil and Gas conditions systematic approach. Wear. 2009;267:2027-2032.
Kahyarian A. Modeling of uniform CO2 corrosion of mild steel in gas transportation systems: a review. J. Nat. Gas Sci. Eng. 2016;29:530-549.
Bagheri M, Alamdari A, Davoudi M. Quantitative risk assessment of sour gas transmission pipelines using CFD. Journal of Nat. Gas Sciences. Engineering. 2016;31:108-118.
Zhao W, Wang C, Zhang T. Effects of laser surface melting on erosion- corrosion of X65 Steel in liquid-solid jet impingement conditions. Wear. 2016;362: 39-52.
Bothi RP, Sethuraman MG. Natural Products as Corrosion Inhibitors for Metals in Corrosive Media: A Review, Mater. Lett. 2008;62:113–116.
Abdel-Gaber AM, Abd-El-Nabey BA, Saadawy M. The Role of Acid Anion on the Inhibition of the Acidic Corrosion of Steel by Lupine Extract, Corros. Sci. 2009;51(5):1038–1042.
Asipita SA, Mohammad I, MuhdZaimi A, Zaiton A, Che Sobry A, Jahangir M. Green BambusaArundinacea Leaves Extract as a Sustainable Corrosion Inhibitor In Steel Reinforced Concrete, J. Clean. Prod. 2014;67:139–146.
Abdulrahman AS, Mohammad I. Electrochemical Assessment of Concrete Ternary Inhibitors Used In Retarding Corrosion of Steel Reinforcement, ARPN J. Eng. Appl. Sci. 2014;9(5):750– 756
Patel NS, Jauhari S, Mehta GN, Al-Deyab SS, Warad I, Hammouti B. Mild Steel Corrosion Inhibition by various Plant Extracts in 0.5 M H2SO4. Int. J. Electrochem. Sci. 2013;8:2635–2655.
El-Maksoud SAA. The effect of organic compounds on the electrochemical behaviour of steel in acidic media. A review. International Journal of Electrochemical Science. 2008;3:528– 555.
Finšgar M, Jackson J. Application of corrosion inhibitors for steels in acidic media for the oil and gas industry: a review. Corrosion Science. 2014;86:17–41.
Tsoeunyane MG, Makhatha ME. Arotiba OA. Corrosion Inhibition of Mild Steel by Poly(butylene succinate)-L-histidine Extended with 1,6-diisocynatohexane Polymer Composite in 1 M HCl. International Journal of Corrosion. 2019;2019:12.
Udhayakala P, Rajendiran TV, Gunasekaran S. Quantum Chemical Studies on the Efficiencies of Vinyl Imidazole Derivatives as Corrosion Inhibitors for Mild Steel. Journal of Advanced Scientific Research. 2012;3(2):37-44.
Sangeetha M, Rajendran S, Sathiyabama J, Krishnavenic A. Inhibition of corrosion of Aluminium and its alloys by extracts of green inhibitors. Portugaliae Electrochimica Acta. 2013;31(1):41-52.
Yarong Song, Guangming Jiang, Ying Chen, Peng Zhao, Yimei Tian. Effects of chloride ions on corrosion of ductile iron and carbon steel in soil environments. Nature Publishing Group. 2017;7:1- 13.
Obolo OE. Electrochemical Gravimetric and Quantum Chemical investigation of expired drugs as corrosion inhibitor for API5L steel in 0.5m H2SO4, M. Eng Final Seminar, FUTA, Akure, Nigeria;2021.
Ayuba AM, AmeenullahAbdullateef A. Corrosion inhibition potentials of Strichnos investigation. Algeria Journal. Engineering Technology;2020.
Khaled KF, Abdel-Shafi NS, Al-Mobarak NA. Understanding corrosion inhibition of iron by 2-thiophenecarboxylic acid methyl ester: Electrochemical and computational study. International. Journal. Electrochem. Sciences. 2012;7:1027-1044.
John S, Joseph A. Electro analytical, surface morphological and theoretical studies on the corrosion inhibition behavior of different 1, 2, 4-triazole precursors on mild steel in 1 M hydrochloric acid. Materials Chemistry and Physics. 2012;133(2- 3):1083-1091.
Lgaz H, Salghi R, Chaouiki A, Jodeh S, Bhat KS. Pyrazoline derivatives as possible corrosion inhibitors for mild steel in acidic media: A combined experimental and theoretical approach. Cogent Engineering. 2018;5(1):144-585.
Abstract View: 60 times
PDF Download: 26 times