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Specific Adsorption of Halide Ions on Iron Surface: A Combined Electrochemical and Monte Carlo Simulation Investigation
(ESG, 2017)
The specific adsorption effect of halide ions (i.e., Cl-, Br-, I-) on the surface of mild steel in acid media has been explored by electrochemical and Monte Carlo simulating methods. The electrochemical impedance spectroscopy ...
Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms
(ELSEVIER SCIENCE BV, 2017)
Steel is an important material in industry. Adding heterocyclic organic compounds have proved to be very efficient for steel protection. There exists an empirical rule that the general trend in the inhibition efficiencies ...
Toward understanding the anticorrosive mechanism of some thiourea derivatives for carbon steel corrosion: A combined DFT and molecular dynamics investigation
(ACADEMIC PRESS INC ELSEVIER SCIENCE, 2017)
The mutually corroborated density functional theory (DFT) and molecular dynamics (MD) simulation methodology were employed to evaluate the inhibition performance of three thiourea derivatives (Inhl, Inh2, and Inh3) on ...
Toward understanding the adsorption mechanism of large size organic corrosion inhibitors on an Fe(110) surface using the DFTB method
(ROYAL SOC CHEMISTRY, 2017)
One of the effective methods developed to inhibit the corrosion of steel is the use of organic molecules as corrosion inhibitors. In particular, the design and synthesis of large size organic corrosion inhibitors draws ...