Electrochemical and Computational Approaches of Polymer Coating on Carbon Steel X52 in Different Soil Extracts.

Using stationary electrochemical, polarization resistance, cathodic charging, transient electrochemical impedance spectroscopy, and theoretical and molecular mechanics studies, epoxy polymer-coated carbon steel specimens' ability to protect metals from corrosion in various soil extracts was examined. According to the polarization resistance tests results, the polymer coating remained stable for 60 days in all three soil extracts, with a 90% efficiency for the steel coated in Soil Extract A, indicating that the sandy soil is less aggressive than the other two. The aggressiveness of clay soil was confirmed by the fact that a polymer-coated steel rod in the clay soil extract experienced a corrosion current density of 97 µA/cm2. In contrast, the same rod in sandy soil had a current density of 58 µA/cm2. The coating's good adsorption contact with the metal surface was further guaranteed by molecular dynamics simulations, which provided atomic-level evidence of the epoxy molecule's adsorption behavior (geometry) and adsorption energy on the carbon steel surface.

Corrosion protection performance of silicon-based coatings on carbon steel in NaCl solution: a theoretical and experimental assessment of the effect of plasma-enhanced chemical vapor deposition pretreatment.

Using a plasma-assisted chemical vapor deposition (PACVD) process, carbon steel samples were coated with an organosilicon layer less than 2.5 microns thick. Ellipsometry, Fourier transform infrared (FTIR) spectroscopy, contact angle, scanning electron microscopy (SEM), and atomic force microscopy (AFM) were used to analyze the films. Additionally, gravimetric experiments were used to determine the electrochemical properties of the organosilicon coatings. Organosilicon-coated carbon steel specimens demonstrated significantly enhanced resistance to corrosive conditions, such as 3% aqueous sodium chloride solutions. The surface preparation method has a considerable influence on the morphological and electrochemical properties of the steel. Argon pretreatment significantly enhances the corrosion resistance of organosilicon-coated steel. Gravimetric research demonstrated that pretreatment with argon plasma resulted in less weight loss and corrosion than pretreatment with nitrogen plasma. The link between quantum computing and experimental data using density functional theory (DFT) and molecular dynamics (MD) was used.