Modification of Cu(111) Surface with Alkylphosphonic Acids in Aqueous and Ethanol Solution. An Experimental and Theoretical Study

Alkylphosphonic acids are well known for their ability to form self-assembled monolayers on hydroxide surfaces. A crucial step to understanding fundamentally how these surfaces are created is the elucidation of the interaction process that leads to such interface creation. In this study, we employed electrochemical impedance spectroscopy (EIS), Monte Carlo and molecular dynamics to understand this process. The interaction with the Cu(111) surface of three different alkylphosphonic acids (hexyl-, octyl- and decylphosphonic acids) is evaluated in an aqueous acidic and in an ethanol solution by Monte Carlo and molecular dynamics simulations, while EIS measurements are used to put in evidence the impact of the layer made in ethanol on copper protection. Nyquist diagrams of copper samples modified with an alkylphosphonic monolayer showed a higher polarization resistance that mitigates the copper corrosion in an aqueous acid medium. The phase–frequency Bode plots had higher and broader phase maxima for a modified copper surface with phosphonic moieties, which confirmed the ability of this organic layer to prevent copper corrosion.

Analisis Termodinamika dan Kinetika Nanopartikel Karbon (C-Dot) dari Buah Durian Sebagai Inhibitor Korosi Tembaga

Corrosion is a physical interaction between the metal and its environment, which results in changes in the metal's properties due to chemical or electrochemical reactions. The corrosion rate can be reduced by adding a corrosion inhibitor. Uses of nanotechnology for corrosion prevention is one of the first technical because almost made structures rely on the stability of a 1–2 nm thick passive film which provides stability to the underlying material. Herein we report the thermodynamic and kinetic analysis of carbon-dots from Durian as inhibitor copper corrosion. To test the anticorrosive performance and analyze thermodynamic properties in its role as a corrosion inhibitor on copper using potentiodynamic polarization. The thermodynamic-kinetic parameters of corrosion obtained values of H‡ = 60.44 kJmol-1, ΔS‡ = -73.9 kJmol-1, and ΔG‡ = 82.83 kJmol-1, show that the attendance of C-dot as a corrosion inhibitor causes a non-spontaneous reaction rate to be proven by increasing spontaneity (ΔG‡). The value of activation energy samples was higher than the blank, indicates the presence of C-dot effective to reduce the rate of corrosion of the metal.

A Review of the Effect of Irradiation on the Corrosion of Copper-Coated Used Fuel Containers

Radiation induced corrosion is one of the possible modes of materials degradation in the concept of long-term management of used nuclear fuel. Depending on the environmental conditions surrounding the used fuel container, a range of radiolysis products are expected to form that could impact the corrosion of the copper coating. For instance, γ-radiolysis of pure water produces molecular oxidants such as H2O2 and the radiolysis of humid air produces compounds such as NOx and HNO3. This review is confined to a discussion of the effect of γ-radiation on the corrosion of copper-coated containers. A simplified mixed-potential model is also presented to calculate the extent of copper corrosion by using the steady-state concentration of H2O2 generated during the first 300 years of emplacement, when the radiation field is significant.

2021 F.N. Speller Award Lecture: CORROSION MECHANISMS OF STEEL AND COPPER IN ENGINEERING APPLICATIONS

The main research lines of the scientific career of the author are herein, exemplified including corrosion and protection mechanisms of steel in different environments, and copper corrosion in climate systems. Stainless steel (SS) due to its high corrosion resistance is a material widely used for many engineering applications. Impedance measurements were performed on polarized at the pitting region AISI 304 SS in environment containing chloride at 25 and 60 ºC. The transfer function was analyzed indicating instability system, corroborating results obtained using the Kramers-Kronig transforms. Steel reinforcement has been studied for structural applications in civil engineering and architecture using cementitious materials, alkaline activated fly ash (AAFA), alternative to the ordinary Portland cement (OPC). The main compounds used as corrosion inhibitors in concrete were included. Carbon steel embedded in OPC mortar was tested in the presence of phosphates as corrosion inhibitors. An organic lacquer was applied to tinplate with titanium-passivation treatment and, in general, acceptable and comparable behavior was obtained to conventional chromium-passivated lacquered tinplate. Copper is also a material used in many engineering applications. Ant-nest corrosion of copper tubing in air-conditioning systems has been reported. The copper corrosion rate occasioned by carboxylic acids, formic, acetic, propionic and butyric, was included.

Inhibition Effect of Atenolol on Copper Corrosion in 1M HNO3: Experimental Study and DFT

Atenolol was examined as a copper corrosion inhibitor in 1M nitric acid solution using the mass loss technique and quantum chemical studies, based on density functional theory (DFT) at the B3LYP level with the base 6-311G (d,p). The inhibitory efficiency of the molecule increases with increasing concentration and temperature. The adsorption of the molecule on the copper surface follows the modified Langmuir model. The thermodynamic quantities of adsorption and activation were determined and discussed. The calculated quantum chemical parameters related to the inhibition efficiency are the energy of the highest occupied molecular orbital E(HOMO), the energy of the lowest unoccupied molecular orbital E(LUMO), the HOMO-LUMO energy gap, the hardness (η), softness (S), dipole moment (μ), electron affinity (A), ionization energy (I), absolute electronegativity (χ),absolute electronegativity (χ), fraction (ΔN) of electrons transferred from Atenolol to copper and electrophilicity index(ω). The local reactivity was analyzed through the condensed Fukui function and condensed softness indices to determine the nucleophilic and electrophilic attack sites. There is good agreement between the experimental and theoretical results.