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58189

Cadmium Ions Pollution Treatments in Aqueous Solution Using Electrochemically Synthesized Gamma Aluminum Oxide Nanoparticles with DFT study

Article

Last updated: 22 Jan 2023

Subjects

-

Tags

Nano chemistry

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).

DOI

10.21608/ejchem.2019.16882.2026

Keywords

γ-Al2O3 nanoparticles, electrochemical, cadmium ion, pollution, TEM, XRD, DFT

Authors

First Name

Dhia

Last Name

Hussain

MiddleName

Hadi

Affiliation

Department of Chemistry/ College of Science/ University of Mustansiriyah

Email

dhiaalgafary@uomustansiriyah.edu.iq

City

Baghdad

Orcid

0000-0002-4014-5381

First Name

Ahmed Mahdi

Last Name

Rheima

MiddleName

-

Affiliation

Wasit University, College of Science, Department of Chemistry. Iraq.

Email

ahmed.rheima@yahoo.com

City

baghdad

Orcid

-

First Name

Shaimaa

Last Name

Jaber

MiddleName

Hamed

Affiliation

Department of Chemistry, College of Science, Al- Mustansiriyah University . Iraq

Email

shaemaahamed800@uomustansiriyah.edu.iq

City

baghdad

Orcid

-

First Name

Mustafa

Last Name

kadhim

MiddleName

Mohammed

Affiliation

department chemistry, college of science, wasit university

Email

mustafa_kut88@yahoo.com

City

kut

Orcid

-

Volume

63

Article Issue

2

Related Issue

10586

Issue Date

2020-02-01

Receive Date

2019-09-11

Publish Date

2020-02-01

Page Start

417

Page End

424

Print ISSN

0449-2285

Online ISSN

2357-0245

Link

https://ejchem.journals.ekb.eg/article_58189.html

Detail API

https://ejchem.journals.ekb.eg/service?article_code=58189

Order

5

Type

Original Article

Type Code

297

Publication Type

Journal

Publication Title

Egyptian Journal of Chemistry

Publication Link

https://ejchem.journals.ekb.eg/

MainTitle

-

Details

Type

Article

Created At

22 Jan 2023