Diglycidyl benzylidene-carbamide as a high-performance protective agent for metal in acidic environments: Experimental and computational study
Source abstract
Abstract
This study reports the synthesis and evaluation of diglycidyl benzylidene-carbamide (DGBC), a novel epoxy compound for mild steel protection in 1 M HCl. Electrochemical methods (PDP, EIS), surface analysis (SEM), and theoretical studies (DFT, MD) confirmed its high efficiency. DGBC achieved 96.6% inhibition at 10⁻3M, reducing icorrfrom 983 to 33 μA/cm2and increasing Rctfrom 34.7 to 538.7 Ω·cm2. Computational results revealed strong adsorption of protonated DGBC (DGBC-H⁺) on Fe(110) with higher adsorption energy (–170.75 kcal/mol) and lower energy gap (3.186 eV) than the neutral form. RDF analysis indicated O–Fe chemisorption (2.79–2.81 Å) and N–Fe partial physisorption (3.51–3.77 Å), corroborating robust inhibitor–metal interactions.Graphical Abstract
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Research context
OpenAlex topics: Corrosion Behavior and Inhibition · Thermal and Kinetic Analysis · Inorganic and Organometallic Chemistry
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