article · Next Materials
A newly synthesised pyrazole derivative, known as PM, demonstrates high effectiveness as a corrosion inhibitor for carbon steel exposed to a 1 M hydrochloric acid solution. Electrochemical measurements show that the compound achieves an inhibition efficiency of 95.6 percent at a concentration of 10^-3 M and 303 K, whilst retaining 82.7 percent efficiency at 10^-6 M. Surface characterisation techniques confirm that the molecule forms a protective adsorbed barrier over the metal surface. The compound acts predominantly as an anodic mixed-type inhibitor, with thermodynamic parameters showing that it primarily chemisorbs to the steel according to the Langmuir adsorption isotherm. Additionally, quantum chemical calculations and molecular dynamics simulations support the experimental findings by clarifying its electronic structure and adsorption mechanisms.
Acidic environments cause severe degradation of industrial carbon steel equipment, leading to high maintenance costs and material failures. Developing inhibitors that deliver high protection at very low concentrations helps preserve critical metal infrastructure during chemical cleaning or processing, substantially cutting material loss and lowering the volume of chemical additives needed for asset protection.
The findings could enable the development of high-efficiency protective additives for industrial operations that expose carbon steel to hydrochloric acid, such as acid pickling and chemical processing. Primary commercial beneficiaries would include industrial chemical manufacturers, asset operators, and maintenance service providers. As the findings are based solely on laboratory-scale electrochemical tests, surface microscopy, and molecular simulations, the technology remains at an early stage of research and requires formulation and field testing.
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In the present work, we have synthesized and characterized a new pyrazole derivative ( E )-N′-(4-hydroxybenzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide (PM) using various spectroscopic techniques. The electrochemical results (potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS)) showed that it was a very efficient inhibitor for carbon steel (CS) corrosion in 1 M HCl solution, achieving 95.6% inhibition efficiency at 10 −3 M and 303 K and retains 82.7% efficiency at 10 −6 M. Construction of a protective layer adsorbed on the steel surface was characterized by surface techniques, including scanning electron microscopy in conjunction with energy-dispersive X-ray analysis (SEM/EDX), atomic force microscopy (AFM), measurements of contact angle, X-ray diffraction (XRD), and UV–visible spectroscopy. The results, moreover, showed that the inhibitor obeys the Langmuir adsorption isotherm with ΔG ads = -45.25 kJ/mol, and it was found that upon adsorption, this inhibitor was mostly chemisorbed. PDP analysis has shown that PM behaves as a mixed-type inhibitor but with a predominant anodic mechanism. In addition, quantum chemical calculations and molecular dynamics simulations gave further insight into its electronic structure and adsorption behavior on the metal surface.
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DOI: 10.1016/j.nxmate.2026.103176
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