Electrochemical studies, Monte Carlo simulation and DFT of a new composite - pentaglycidyl ether pentaphenoxy of phosphorus - crosslinked and hybrid in its coating behavior on E24 carbon steel in 3.5% NaCl

• Autor(a) principal: Hsissou,R.
• Data de Publicação: 2021
• Outros Autores: Benhiba,F., Zarrouk,A., Oudda,H., Elharfi,A.
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
• Texto Completo: http://scielo.pt/scielo.php?script=sci_arttext&pid=S0872-19042021000100001
• topic: polymer; composite; coating; E24 carbon steel; electrochemical studies and theoretical study.

Abstract This work consists in applying and studying the new pentafunctional phosphoric polymeric architecture - pentaglycidyl ether pentaphenoxy phosphorus (PGEPPP) - on the behavior of its coating, in a marine environment. First, we applied the new macromolecular pentafunctional epoxide (PGEPPP) binder, crosslinked by methylene dianiline and formulated by a natural phosphate, to E24 carbon steel, in the presence of two formulations, F1 (PGEPPP/MDA) and F2 (PGEPPP/MDA/PN). Then, we have studied the behavior of the anticorrosive coating on the metal substrate, in 3.5% NaCl. Indeed, the gravimetric, stationary and transient electrochemical studies of the composite (PGEPPP/MDA/PN) are very interesting and reach maximum values ​​which are equal to 94%, 95% and 91%, respectively. We then proceeded to the prediction of the quantum parameters of the new pentafunctional phosphorus epoxy resin; these parameters were calculated according to the method of the Theory of Functional Density (DFT), at the level of 6-311 G (d,p) basis sets. Finally, the results obtained by the Monte Carlo simulation are in very good agreement with the data of the DFT theory and with the experimental data.