Enhancing corrosion resistance of mild steel in hydrochloric acid solution using 4-phenyl-1-(phenylsulfonyl)-3-thiosemicarbazide: A comprehensive study

• N.S. Abtan¹, A.E. Sultan², F.F. Sayyid³, A.A. Alamiery^4,5, A.H. Jaaz⁶, T.S. Gaaz⁷, S.M. Ahmed³, A.M. Mustafa³, D.A. Ali³ and M.M. Hanoon³

¹ Department of Mechanical Engineering, Tiktit University, College of Engineering, P.O. Box: 34001, Tikreet, Salah Al Deen, Iraq
² Department of Chemistry, College of science, University of Diyala, P.O. Box: 32001, Diyala, Iraq
³ Production Engineering and Metallurgy, University of Technology, P.O. Box: 10001, Baghdad, Iraq
⁴ Energy and Renewable Energies Technology Center, University of Technology, 10001, Baghdad, Iraq
⁵ Department of Chemical and Process Engineering, Faculty of Engineering and Build Environment, Universiti Kebangsaan Malaysia, P.O. Box: 43600, Bangi, Selangor, Malaysia
⁶ Department of Medical Physics, College of Science, Al-Mustaqbal University, 51015, Babylon, Iraq
⁷ Air Conditioning and Refrigeration Techniques Engineering Department, College of Engineering and Technologies, Al-Mustaqbal University, 51015, Babylon, Iraq

Abstract: In the realm of materials science and corrosion mitigation, the utilization of inhibitors has garnered substantial attention for safeguarding metal assets. This research delves into the proficient utilization of 4-phenyl-1-(phenylsulfonyl)-3-thiosemicarbazide (PP-3-T) as a corrosion inhibitor for mild steel in hydrochloric acid (HCl) solutions, as evaluated through weight loss measurements. The investigation reveals that the incorporation of PP-3-T into the HCl medium engenders a significant enhancement in the corrosion resistance of mild steel, attributed to the formation of a protective barrier via PP-3-T molecule adsorption. A notable finding of this study is the independence of the corrosion inhibition efficiency on variables such as PP-3-T concentration, immersion time, and temperature. The best inhibition efficiency of 96.1% for mild steel immersed in 1 M HCl solution is achieved in the presence of 0.5 mM PP-3-T. Furthermore, the inhibitory effect diminishes significantly as immersion time is extended from 10 to 48 hours at a constant PP-3-T concentration, highlighting the time-sensitive nature of the inhibition process. Alterations in temperature within the range of 303 to 333 K exhibit negligible impact on inhibition efficiency, indicating the robustness of the corrosion protection mechanism. The adsorption isotherm analysis accentuates the adherence of PP-3-T to the Langmuir adsorption model on mild steel, emphasizing the layer formation of the protective barrier. Insights from Density Functional Theory (DFT) quantum chemical calculations reveal critical molecular attributes of PP-3-T governing its corrosion inhibition potential. Parameters such as adsorption energy (ΔE), highest occupied molecular orbital energy (E_HOMO), lowest unoccupied molecular orbital energy (E_LUMO), energy gap (E_gap), as well as chemical reactivity indices encompassing total hardness (η), electronegativity (χ), and electron density transfer (ΔN), elucidate the corrosion inhibition mechanism of PP-3-T. In essence, this comprehensive study unveils the corrosion inhibition efficiency of PP-3-T for mild steel in HCl environments and elucidates the molecular underpinnings that govern its anti-corrosive prowess. These findings contribute to the expanding knowledge base concerning corrosion protection strategies and offer potential avenues for designing novel and efficient corrosion inhibitors.

Keywords: corrosion inhibition, mild steel, hydrochloric acid, 4-phenyl-1-(phenylsulfonyl)-3-thiosemicarbazide, PP-3-T, adsorption mechanism

Int. J. Corros. Scale Inhib., 2024, 13, no. 1, 435-459
doi: 10.17675/2305-6894-2024-13-1-22

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