Home Experimental characterization, TDDFT-DFT, and spin effect on [PEG/H2O–ZrO2/TiO2]h hybrid nanofluid 3D flow as potential ceramic industry application
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Experimental characterization, TDDFT-DFT, and spin effect on [PEG/H2O–ZrO2/TiO2]h hybrid nanofluid 3D flow as potential ceramic industry application

  • Mohamed R. Eid EMAIL logo , Mohammed A. Ali and Ahmed F. Al-Hossainy
Published/Copyright: July 19, 2021
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International Journal of Chemical Reactor Engineering
From the journal International Journal of Chemical Reactor Engineering Volume 19 Issue 11

Abstract

Doped zirconium oxide nanoparticles [ZrO2]NPs in the [PEG–H2O] and [TiO2]NPs in the [PEG–H2O/ZrO2]C matrices to fabricated the [PEG–H2O/ZrO2+TiO2]h hybrid nanofluid films by a sol–gel method, the average crystallite size is 100 ± 5 nm. The nanofluid and hybrid nanofluid thin films are studied using combined experimental and DFT theoretical method (DMOl3), including FTIR spectrum and optical properties. Mathematically, Higher rate of reactions of rotating [PEG/H2O–ZrO2]m, and [PEG–H2O/ZrO2+TiO2]h nanofluids on an extending sheet is considered with thermal radiation and heat source. The numerical Runge–Kutta–Fehlberg of 4–5th order (RKF45) method is used to solve the issue. The results specifically determine that Δ E g Opt values decrease from 2.27 eV for [PEG–H2O/ZrO2]m mono nanofluid to 1.596 eV for [PEG–H2O/ZrO2+TiO2]h hybrid nanofluid using the DFT computations HOMO and LUMO calculation. This result concluded that the [PEG–H2O/ZrO2]m transformed from semiconductor to [PEG–H2O/ZrO2+TiO2]h as a superconductor hybrid nanofluid by addition [TiO2]NPs. The hybrid nanoparticles have a higher influence than nanoparticles on the velocity distributions.

Keywords: DFT; heat transfer; hybrid nanofluid; [PEG–H2O/ZrO2+TiO2]h ; rotating fluid; structural characteristics
Corresponding author: Mohamed R. Eid, Mathematics Department, Faculty of Science, New Valley University, Al-Wadi Al-Gadid, Al-Kharga 72511, Egypt; and Mathematics Department, Faculty of Science, Northern Border University, Arar, 1321, Saudi Arabia, E-mail:

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: None declared.

  3. Conflict of interest statement: The authors declare that there is no conflict of interest.

  4. Data availability: The data that support the findings of this study are available within the article.

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Received: 2021-04-22
Accepted: 2021-07-05
Published Online: 2021-07-19

© 2021 Walter de Gruyter GmbH, Berlin/Boston

Articles in the same Issue

  1. Frontmatter
  2. Review
  3. Book Review: Industrial green chemistry, Editors: Serge Kaliaguine and Jean-Luc Dubois
  4. Articles
  5. Experimental characterization, TDDFT-DFT, and spin effect on [PEG/H2O–ZrO2/TiO2]h hybrid nanofluid 3D flow as potential ceramic industry application
  6. A simulation study of nonideal mixing effect on the dynamic response of an exothermic CSTR with Cholette’s model
  7. CO2 utilization by dry reforming of CH4 over mesoporous Ni/KIT-6 catalyst
  8. CFD-based simulation to reduce greenhouse gas emissions from industrial plants
  9. Beneficiation of phosphate-siliceous slates via acetic acid
  10. Artificial neural network (ANN) approach for prediction and modeling of breakthrough curve analysis of fixed-bed adsorption of iron ions from aqueous solution by activated carbon from Limonia acidissima shell
  11. A comparative study and combined application of RSM and ANN in adsorptive removal of diuron using biomass ashes
  12. Removal of a reactive dye from simulated textile wastewater by environmentally friendly oxidant calcium peroxide
https://doi.org/10.1515/ijcre-2021-0124
Keywords for this article
DFT; heat transfer; hybrid nanofluid; [PEG–H2O/ZrO2+TiO2]h; rotating fluid; structural characteristics

Articles in the same Issue

  1. Frontmatter
  2. Review
  3. Book Review: Industrial green chemistry, Editors: Serge Kaliaguine and Jean-Luc Dubois
  4. Articles
  5. Experimental characterization, TDDFT-DFT, and spin effect on [PEG/H2O–ZrO2/TiO2]h hybrid nanofluid 3D flow as potential ceramic industry application
  6. A simulation study of nonideal mixing effect on the dynamic response of an exothermic CSTR with Cholette’s model
  7. CO2 utilization by dry reforming of CH4 over mesoporous Ni/KIT-6 catalyst
  8. CFD-based simulation to reduce greenhouse gas emissions from industrial plants
  9. Beneficiation of phosphate-siliceous slates via acetic acid
  10. Artificial neural network (ANN) approach for prediction and modeling of breakthrough curve analysis of fixed-bed adsorption of iron ions from aqueous solution by activated carbon from Limonia acidissima shell
  11. A comparative study and combined application of RSM and ANN in adsorptive removal of diuron using biomass ashes
  12. Removal of a reactive dye from simulated textile wastewater by environmentally friendly oxidant calcium peroxide
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