Exploring the synthesis and application of a pyrazole derivative in corrosion protection: Theoretical modeling and experimental investigations
This research investigates the inhibitory performance of BM-02, a synthesized pyrazole derivative (R)-5-(4-methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole, against the corrosion of mild steel in a 1 M hydrochloric acid solution. A comprehensive array of experimental techniques, including weight loss analysis, potentiodynamic polarization, electrochemical impedance spectroscopy, and scanning electron microscopy, were employed to assess the inhibitory effectiveness. BM-02 is identified as a mixed inhibitor, showcasing a remarkable efficiency of 91.5 % at a concentration of 10−3 mol/l. The adsorption behavior of the BM-02 molecule was investigated, revealing a physical adsorption model in accordance with the Langmuir isotherm. Furthermore, ATR-IR, 1H NMR, and 13C NMR spectra were acquired, complemented by density functional theory (DFT) calculations and molecular dynamics (MD) simulations to gain deeper insights into the molecular interactions and corrosion inhibition mechanism. © 2024
AD is a neurodegenerative disorder and is associated with the presence of amyloid-β plaques and neurofibrillary tangles leading to net loss of neurons, which demonstrates an urgent unmet need to…
The present study reports on the construction of orthorhombic crystalline α-MoO3 and the surface burial of Ag0 on it to enhance the catalytic degradation of metronidazole (MTZ).
This research work describes the synthesis and characterization of nickel phosphate (NiPO) nanostructures, which were successfully synthesized by the simple oil bath technique.