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

Abstract

) are observed due to the adsorption of molecules and protective film formation. AFM and SEM-EDS evidence a more homogeneous and less deteriorated surface, whereas contact angle measurements and UV-vis results corroborate the enhancement in hydrophobicity and the presence of inhibitor-interface interactions. Furthermore, the theoretical results are corroborated with experimental results and provide a good explanation of the adsorption pattern of PMB and PMI chemicals, which undergo a type of chemisorption according to the Langmuir adsorption model.