Electrochemical Investigation of C-Steel Corrosion Inhibition, In Silico, and Sulfate-Reducing Bacteria Investigations Using Pyrazole Derivatives

Mahmoud M Shaban; N M El Basiony; A Bahgat Radwan; Emad E El-Katori; Ahmed Abu-Rayyan; Nawal H Bahtiti; Moaz M Abdou

doi:10.1021/acsomega.3c02333

Electrochemical Investigation of C-Steel Corrosion Inhibition, In Silico, and Sulfate-Reducing Bacteria Investigations Using Pyrazole Derivatives

ACS Omega. 2023 Aug 9;8(33):30068-30080. doi: 10.1021/acsomega.3c02333. eCollection 2023 Aug 22.

Authors

Mahmoud M Shaban¹, N M El Basiony^{1

2}, A Bahgat Radwan³, Emad E El-Katori⁴, Ahmed Abu-Rayyan⁵, Nawal H Bahtiti⁵, Moaz M Abdou¹

Affiliations

¹ Egyptian Petroleum Research Institute, Nasr City, 11727 Cairo, Egypt.
² School of Chemical Engineering, Sungkyunkwan University, Suwon 16419, South Korea.
³ Center for Advanced Materials, Qatar University, P.O. Box 2713, Doha, Qatar.
⁴ Chemistry Department, Faculty of Science, New Valley University, El-Kharga 72511, Egypt.
⁵ Faculty of Arts & Science, Applied Science Private University, Amman 11931, Jordan.

Abstract

The inhibitory impact of the two synthesized pyrazole derivatives (3 and 4) toward metallic and microbial corrosion was investigated. Using open circuit potential, potentiodynamic polarization, and electrochemical impedance spectroscopy, it was possible to determine their ability to prevent the corrosion of C-steel in 1 M HCl, which was significantly enhanced with increasing concentration (ex. 93%). They act as mixed-type inhibitors, according to polarization curves. The compounds under investigation were adsorbed on a C-steel surface in 1 M HCl following the Langmuir isotherm model. The double-layer capacitance was decreased, and the charge transfer resistance (R_ct) was raised due to the examined inhibitors' adsorption. Investigating changes in the surface morphology and confirming the corrosion inhibition mechanism are done using scanning electron microscopy. Density functional theory calculations and Monte Carlo simulations were also conducted to show the adsorption affinity of the understudied compounds over the steel substrate in neutral and protonated forms. Furthermore, the antimicrobial performance of the two synthesized pyrazoles against sulfate-reducing bacteria was evaluated, and the recorded inhibition efficiency was 100%. The current research shows important developments in producing highly effective anticorrosion and antimicrobial pyrazole derivatives.