Molecular interaction and corrosion inhibition of benzophenone and its derivative on mild steel in 1 N HCl: Electrochemical, DFT and MD simulation studies

Experimental and theoretical investigation on the anti-corrosion characteristics of pyridine-substituted benzothiazole derivatives for mild steel in aqueous HCl

“…As suggested in the literature, the observed interaction distance is a manifestation of chemisorption for the present kind of system (i.e., adsorption of an organic molecule on the metal surface in aqueous solution). 80 The interaction energy as obtained in MD simulation is completely in agreement with the corrosion inhibitory performance of the studied BT-Py derivatives (Table 9). The interaction energy of APYBT is almost twice that of PYBT, which validates the experimentally obtained result that APYBT acts as a much superior inhibitor than PYBT.…”

Isothiourea-Terminated Pentaerythritol Core Dendrimers as Highly Efficient Corrosion Inhibitors for Carbon Steel in Soft Water

“…It shows that the adsorption of organic molecules on the metal surfaces occurred by replacing with water molecules. 58 The inhibition efficiency (η E ) and surface coverage (θ) can be calculated using parameters obtained from EIS using eqs 6 and 7 59 ×…”

“…Significant increase of R ct with increasing inhibitor concentration and simultaneous decrease in the double-layer capacitance ( C dl ) is observed. It shows that the adsorption of organic molecules on the metal surfaces occurred by replacing with water molecules . The inhibition efficiency (η E ) and surface coverage (θ) can be calculated using parameters obtained from EIS using eqs and η E = R ct − R ct 0 R ct × 100 % θ = R ct − R ct 0 R ct …”

Design of metalized polyether-ether-ether-ketone based on semi-additive manufacture for 5G applications: from bottom-up assembly to selective electroplating

“…9b) could assist in analyzing the reaction sites of GPTMS, which consisted of two regions, represented by two colors. 40 The blue region, with a low electrostatic potential, was defined as the electron-rich region, while the red region tended to obtain electrons (high electrostatic potential) and take place in electrophilic attack. The electron-rich regions of GPTMS were mainly observed on O atoms, and O-5 atoms in the terminal groups had the lowest electrostatic potential.…”