Corrosion inhibition of low carbon steel in HCl medium using a thiadiazole derivative: weight loss, DFT studies and antibacterial studies

• M.S. Abdulazeez¹, Z.S. Abdullahe², M.A. Dawood³, Z.K. Handel⁴, R.I. Mahmood⁴, S. Osamah⁵, A.H. Kadhum⁶, L.M. Shaker¹ and A.A. Al-Amiery^7,8

¹ Department of Medical Instrumentation Engineering, Al‐Mansour University College, Baghdad, 10001, Iraq
² Chemistry department, Al-Mustansiriyah, Baghdad, 10001, Iraq
³ College of Dentistry, The University of Mashreq, Baghdad, 10001, Iraq
⁴ Department of Physical Therapy Al-Mansour University College, Baghdad, 10001, Iraq
⁵ Laser and Optoelectronics Engineering Department, University of Technology, Baghdad, 10001, Iraq
⁶ University of Al-Ameed, Karbala, 56001, Iraq
⁷ Department of Chemical and Process Engineering, University Kebangsaan Malaysia (UKM), P.O. Box: 43000, Bangi, Selangor, Malaysia
⁸ Energy and renewable energies technology center, University of Technology, Baghdad, 10001, Iraq

Abstract: A thiadiazole derivative, namely 2-amino-5-(naphthalen-2-ylmethyl)-1,3,4-thiadiazole (ANYT), has been synthesized and its corrosion inhibition effect on low carbon steel in 1 M hydrochloric acid was examined by gravimetric technique. The protective efficiency of the examined inhibitor toward low carbon steel in 1 M HCl has been analyzed as a function of the inhibitor concentration, immersion time, and solution temperature. The experimental findings revealed that the inhibition efficiency (IE) reached 55% in 1 h and achieved above 95% in 1 h at 500 ppm of the tested inhibitor. The IE increased with concentration and immersion time, and decreased with an increase in temperature. The mass loss data showed that corrosion inhibition occurred due to efficient formation of an adsorbed film on the surface of low carbon steel. The adsorption of the tested inhibitor molecules obeyed the Langmuir adsorption model. The free energy value of adsorption of the tested inhibitor molecules indicated that both physisorption and chemisorption on low carbon steel surface occurred. Quantum chemical calculations were performed to compare the electronic structure parameters of the examined thiazole with its inhibition efficiency value. Frontier molecular orbitals, that is, the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), the energy gap (ΔE), chemical hardness, softness, and electronegativity have been determined and explained. The DFT results were found to agree with gravimetric data showing that the examined compound was an efficient inhibitor for low carbon steel corrosion in HCl medium. The antibacterial efficiency of ANYT against selected types of bacteria, namely Escherichia coli, and Staphylococcus aureus, was studied. The results showed that the examined inhibitor had a significant potential to inhibit the growth of gram negative and gram positive bacteria.

Keywords: thiadiazole, corrosion inhibitor, Escherichia coli, Staphylococcus aureus, DFT

Int. J. Corros. Scale Inhib., 2021, 10, no. 4, 1812-1828
doi: 10.17675/2305-6894-2021-10-4-27

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