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, Pages 417-424 PDF (1.79 M) | ||
| Document Type: Original Article | ||
| DOI: 10.21608/ejchem.2019.16882.2026 | ||
| Authors | ||
| Dhia Hadi Hussain1; 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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