Adsorption and inhibition mechanism of pyrazole derivatives on carbon steel: combined electrochemical, surface, and DFT/MD study

A. Barrahi; A. Marzaq; Rafik Saddik; Saïd Tighadouini; F. Benhiba; M. El Faydy; Burak Dikici; M. Abdallah; Ismail Warad; A. Zarrouk

doi:10.1039/d6ra00508j

January 1, 2026RSC AdvancesOpen Access

Adsorption and inhibition mechanism of pyrazole derivatives on carbon steel: combined electrochemical, surface, and DFT/MD study

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Key Points

The research investigates the effectiveness of pyrazole derivatives as corrosion inhibitors for carbon steel in acidic conditions.
Used potentiodynamic polarization (PDP) to assess corrosion rates
Employed electrochemical impedance spectroscopy (EIS) for impedance measurements
Conducted surface analyses on treated steel samples
Utilized density functional theory (DFT) and molecular dynamics (MD) simulations for computational insights
Both PMB and PMI derivatives exhibited strong adsorption on the carbon steel surface
Significant inhibition efficiency was observed for both compounds in acidic media

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Implication

Electrochemical analysis demonstrates corrosion inhibition in carbon steel using pyrazole derivatives, suggesting effective protective strategies.

Abstract

PMB and PMI pyrazole derivatives were investigated as corrosion inhibitors for carbon steel in acidic medium using PDP, EIS, surface analysis, DFT and MD simulations. Both compounds showed strong adsorption on the steel surface and significant inhibition efficiency.

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Barrahi et al. (2026) studied this question.

synapsesocial.com/papers/69be35946e48c4981c673e91 https://doi.org/10.1039/d6ra00508j

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Adsorption and inhibition mechanism of pyrazole derivatives on carbon steel: combined electrochemical, surface, and DFT/MD study

Key Points

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Implication

Abstract

Discussion

Cite This Study

Adsorption and inhibition mechanism of pyrazole derivatives on carbon steel: combined electrochemical, surface, and DFT/MD study

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

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