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DFT and experimental study on adsorption of dyes on activated carbon prepared from apple leaves

  • Carbon Letters
  • Abbr : Carbon Lett.
  • 2021, 31(5), pp.863-878
  • DOI : 10.1007/s42823-020-00187-1
  • Publisher : Korean Carbon Society
  • Research Area : Natural Science > Natural Science General > Other Natural Sciences General
  • Received : March 30, 2020
  • Accepted : September 7, 2020
  • Published : October 1, 2021

Abdel-Aziz Mohamed Helmy 1 El-Ashtoukhy Elsayed Zakaria 2 Bassyouni Mohamed 3 Al-Hossainy Ahmed Farouk 4 Fawzy Eman M. 5 Abdel-Hamid Shereen M. S. 6 Zoromba Mohamed Shafick 3

1King Abdulaziz University
2lexandria University
3Port Said University
4New Valley University
5Qassim University
6Department of Chemical Engineering, The Egyptian Academy for Engineering and Advanced Technology, Ministry of Military Production, Cairo, Egypt

Accredited

ABSTRACT

This work reports utilization of apple leaves as a source of activated carbon. Activated carbon from apple leaves is prepared by two diferent methods, thermal activation where AC1 is obtained and chemical activation using H3PO4 and ZnCl2 where AC2 and AC3 are obtained, respectively. XRD analysis revealed that all types of prepared ACs have a semi-crystalline nature with a mean crystallite size of 13, 21.02, and 39.47 nm for AC1, AC2, and AC3, respectively. To identify the most suitable desorption temperature, the exothermic behavior was discovered for the three types of ACs by DSC. The exothermic onset temperatures are 340 °C, 200 °C, 400 °C, or AC1, AC2, and AC3, respectively. The point of zero charge for the three types of ACs is 8.6, 7.3, and 2.5 for AC1, AC2, and AC3, respectively. The BET surface area analysis data demonstrated that mesoporous structure was developed in AC1 and AC2, while a microporous structure was developed in AC3. Quantum chemical calculations for ACs is carried out using Density Functional Theory (DFT). Application of the prepared ACs in adsorption of basic dye C.I. base blue 47 is studied. The maximum removal efciency was 65.1%, 96% and 99% for AC1, AC2, and AC3, respectively under the infuence of diferent operating aspects. Adsorption data are modeled by Langmuir, Freundlich, and Temkin isotherms. The data revealed that adsorption of basic dye C.I. base blue 47 on AC1 follows Langmuir isotherm and adsorption on AC2 and AC3 follows Freundlich isotherm.

Citation status

This is the result of checking the information with the same ISSN, publication year, volume, and start page between the WoS and the KCI journals. (as of 2024-07-27)

Total Citation Counts(KCI+WOS) (58) This is the number of times that the duplicate count has been removed by comparing the citation list of WoS and KCI.

Scopus Citation Counts (69) This is the result of checking the information with the same ISSN, publication year, volume, and start page between articles in KCI and the SCOPUS journals. (as of 2025-01-01)

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