Anticorrosive properties of Hexa (3-methoxy propan-1,2-diol) cyclotri-phosphazene compound for carbon steel in 3% NaCl medium: gravimetric, electrochemical, DFT and Monte Carlo simulation studies.
作者： Omar Dagdag , Ahmed El Harfi , Mustapha El Gouri , Zaki Safi , Ramzi T.T. Jalgham
DOI: 10.1016/J.HELIYON.2019.E01340
关键词:
摘要: Abstract The corrosion inhibition performance of Hexa (3-methoxy propan-1,2 diol) cyclotriphosphazene (HMC) on carbon steel in 3% NaCl solution was investigated by weight loss (WL), potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS) measurements, Density functional theory (DFT) and Monte Carlo (MC) simulation. efficiency at optimum concentration (10−3M) is 99% HMC 298 K. 10−3 M decreases with increase temperature. adsorption the surface obeyed Langmuir isotherm. Potentiodynamic study confirmed that inhibitor anodic-type. DFT simulations based computational approaches were under taken to support experimental findings. studies revealed interact metallic through donor-acceptor interactions which anionic parts act as electron donor (HOMO) cationic behaved acceptor (LUMO). MC showed studied adsorb spontaneously Fe (110) surface.
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