Cadmium Ions Pollution Treatments in Aqueous Solution Using Electrochemically Synthesized Gamma Aluminum Oxide Nanoparticles with DFT study | ||||
Egyptian Journal of Chemistry | ||||
Article 5, Volume 63, Issue 2, February 2020, Page 417-424 PDF (1.79 MB) | ||||
Document Type: Original Article | ||||
DOI: 10.21608/ejchem.2019.16882.2026 | ||||
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Authors | ||||
Dhia Hadi Hussain 1; Ahmed Mahdi Rheima 2; Shaimaa Hamed Jaber3; Mustafa Mohammed kadhim4 | ||||
1Department of Chemistry/ College of Science/ University of Mustansiriyah | ||||
2Wasit University, College of Science, Department of Chemistry. Iraq. | ||||
3Department of Chemistry, College of Science, Al- Mustansiriyah University . Iraq | ||||
4department chemistry, college of science, wasit university | ||||
Abstract | ||||
γ-Al2O3 nanoparticles have been synthesized by electrochemical method using a rectangular aluminum plate as the anode and aluminum plate as the cathode (counter electrode); both electrodes have the same shape and dimensions. TEM, and XRD have been used to characterize the nanoparticles. The results indicated that the size range of γ-Al2O3 nanoparticles was (14- 19) nanometers. Dealt with the studying of the effectiveness of the synthesized nanoparticles on the adsorption of cadmium ion from its aqueous solutions under different temperatures (10, 20, 30, 40, 50) ◦C, Also thermodynamic parameters (ΔS, ΔH, ΔG) were calculated. The equilibrium geometries of γ-Al2O3 nanoparticles have been studied by Density function theory (DFT) using Gaussian 09 package program. The calculated highest-occupied molecular orbital energy (EHOMO) is to be (-.04798 a.u) and the lowest-unoccupied molecular orbital energy (ELUMO) is to be (0.05909 a.u). The calculated activation energy breakage γ-Al2O3-Cd was (35.529 kcal/mole). | ||||
Keywords | ||||
γ-Al2O3 nanoparticles; electrochemical; cadmium ion; pollution; TEM; XRD; DFT | ||||
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