This work concentrates on the application of an eco-friendly and non-toxic formulation based on Opuntia dillenii seed oil (labeled FOD) as a new corrosion inhibitor for iron in 3% NaCl solution. We assessed the potential toxicity of FOD through the oral acute toxicity test. Then, the anticorrosion behavior was conducted at different concentrations, temperatures and immersion times using gravimetric and electrochemical methods. The study exhibited a highest inhibition efficiency of 93% obtained at 750 ppm. The formation of a complex between FOD and metallic surface was confirmed by UV-visible spectroscopy. Surface analysis confirmed the ability of the inhibitor to form a film to protect the metal against electrolyte attack. The theoretical aspect elaborated using molecular dynamics (MD) simulation and density functional theory (DFT) supported all experimental results by illustrating similar trend of inhibition efficiencies and revealed that FOD could serve as an effective inhibitor of iron corrosion in 3% NaCl.
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