Article ID Journal Published Year Pages File Type
4987916 Desalination 2016 11 Pages PDF
Abstract
The surface adsorption of inhibitors follows the Langmuir adsorption isotherm and acts as spontaneous mixed-type corrosion inhibitors on the carbon-steel surface. The related thermodynamic parameters (Ea, Kads, ∆ Gads, ∆ H≠ and ∆ S≠) were evaluated and the interaction energy for Streptomycin was more than the Tetracycline. The SEM morphometric showed a good protection effect of inhibitors on carbon-steel in the presence of seawater and this was more efficient for Streptomycin. To emphasize the further insight into the efficiency of inhibitors, the Quantum chemical analysis and molecular dynamics simulations were used to find the most stable configuration and adsorption energies for inhibitors on the carbon-steel surface. The theoretical quantum chemical data such as EHOMO, η, χ, molecular surface area, MV, μ, α and ΔN were in agreement with inhibition efficiencies (IE %) that were obtained experimentally. Also, the molecular dynamics simulation showed the most stable configuration and adsorption energies of Streptomycin and Tetracycline on the carbon-steel and this follows the order of Streptomycin > Tetracycline, as verified by the experimental data.
Related Topics
Physical Sciences and Engineering Chemical Engineering Filtration and Separation
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