Abstract

HSISSOU, R. et al. 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. Port. Electrochim. Acta [online]. 2021, vol.39, n.1, pp.1-19.  Epub Feb 01, 2021. ISSN 0872-1904.  https://doi.org/10.4152/pea.202101001.

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.

Keywords : polymer; composite; coating; E24 carbon steel; electrochemical studies and theoretical study..

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