196
Views
4
CrossRef citations to date
0
Altmetric
Research Articles

Computational Investigation for the Removal of Hydrocarbon Sulfur Compounds by Zinc Oxide Nano-Cage (Zn12O12-NC)

, &
Pages 370-383 | Received 07 Nov 2020, Accepted 25 Nov 2021, Published online: 14 Dec 2021

References

  • T. H. Khlaif, and A. S. Bded, “Decreasing the Sulfur Content of Crude Oil by Ultra-Sound and Activated Carbon Assisted Oxidative Method,” IOP Conference Series: Materials Science and Engineering 579 (2019): 012012.
  • P. Agarwal, and D. K. Sharma, “Comparative Studies on the Biodesulfurization of Crude Oil with Other Desulfurization Techniques and Deep Desulfurization through Integrated Processes,” Energy & Fuels 24, no. 1 (2010): 518–24.
  • H. Suhad, H. Z. Neihaya, and A. L. Raghad, “Evaluating the Biological Activities of Biosynthesized ZnO Nanoparticles Using Escherichia coli,” Caspian Journal of Environmental Sciences 2021 (2021): 1–8.
  • A. Khojastehnezhad, A. Davoodnia, M. Bakavoli, N. Tavakoli-Hoseini, and M. Zeinali-Dastmalbaf, “Silica Gel‐Supported Polyphosphoric Acid (PPA/SiO2): An Efficient and Reusable Heterogeneous Catalyst for Facile Synthesis of 14‐Aryl‐14H‐Dibenzo [a, j] Xanthenes under Solvent‐Free Conditions,” Chinese Journal of Chemistry 29, no. 2 (2011): 297–302.
  • S. Houda, C. Lancelot, P. Blanchard, L. Poinel, and C. Lamonier, “Oxidative Desulfurization of Heavy Oils with High Sulfur Content: A Review,” Catalysts 8, no. 9 (2018): 344–26.
  • S. G. Al-Shawi, N. A. Alekhina, S. Aravindhan, L. Thangavelu, A. Elena, N. V. Kartamysheva, and R. R. Zakieva, “Synthesis of NiO Nanoparticles and Sulfur, and Nitrogen co Doped-Graphene Quantum Dots/NiO Nanocomposites for Antibacterial Application,” Journal of Nanostructures 11, no. 1 (2021): 181–8.
  • S. G. Al-Shawi, H. I. Ali, and Z. K. Al-Younis, “The Effect of Adding Thyme Extacts on Microbiological, Chemical and Sensory Characteristics of Yogurt,” Journal of Pure and Applied Microbiology 14, no. 2 (2020): 1367–76.
  • M. Khayatnezhad, and F. Nasehi, “Industrial Pesticides and a Methods Assessment for the Reduction of Associated Risks: A Review,” Advancements in Life Sciences 8, no. 2 (2021): 202–10.
  • T. Tjahjono, M. Elveny, S. Chupradit, D. Bokov, H. T. Hoi, and M. Pandey, “Role of Cryogenic Cycling Rejuvenation on Flow Behavior of ZrCuAlNiAg Metallic Glass at Relaxation Temperature,” Transactions of the Indian Institute of Metals 2021 (2021): 1–7.
  • H. W. Kroto, J. R. Heath, S. C. O’Brien, R. F. Curl, and R. E. Smalley, “C60: Buckminsterfullerene,” Nature 318, no. 6042 (1985): 162–3.
  • D. L. Strout, “Structure and Stability of Boron Nitrides: isomers of B12N12,” The Journal of Physical Chemistry A 104, no. 15 (2000): 3364–6.
  • T. Oku, A. Nishiwaki, and I. Narita, “Formation and Atomic Structure of B12N12 Nano‐Cage Clusters Studied by Mass Spectrometry and Cluster Calculation,” Science and Technology of Advanced Materials 5, no. 5–6 (2004): 635–8.
  • O. V. de Oliveira, J. M. Pires, A. C. Neto, and J. D. dos Santos, “Computational Studies of the Ca12O12, Ti12O12, Fe12O12 and Zn12O12 Nanocage Clusters,” Chemical Physics Letters 634 (2015): 25–8.
  • A. S. Rad, “High Ozone Chemisorption by Using Metal–Cluster Complexes: A DFT Study on the Nickel‐Decorated B12P12 Nanoclusters,” Canadian Journal of Chemistry 95 (2017): 845–50.
  • A. S. Rad, “Study on the Surface Interaction of Furan with X12Y12 (X = B, Al and Y = N, P) Semiconductors: DFT Calculations,” Heteroatom Chemistry 27 (2016): 316–22.
  • M. Kazemi, and A. S. Rad, “Sulfur Mustard Gas Adsorption on ZnO Fullerene‐like Nanocage: quantum Chemical Calculations,” Superlattices and Microstructures 106 (2017): 122–8.
  • I. I. Novochinskii, C. S. Song, X. L. Ma, X. S. Liu, L. Shore, J. Lampert, and R. J. Farrauto, “Low-Temperature H2S Removal from Steam-Containing Gas Mixtures with ZnO for,” Energy & Fuels 18, no. 2 (2004): 576–83.
  • A. A. Peyghan, M. T. Baei, and S. Hashemian, “ZnO Nanocluster as a Potential Catalyst for Dissociation of H2S Molecule,” Journal of Cluster Science 24, no. 1 (2013): 341–7.
  • S. Aslanzadeh, “Transition Metal Doped ZnO Nanoclus-Ters for Carbon Monoxide Detection: DFT Studies,” Journal of Molecular Modeling 22, no. 7 (2016): 160–5.
  • A. Ali, A. R. Phull, and M. Zia, “Lemental Zinc to Zinc Nanoparticles: Is ZnO NPs Crucial for Life? Synthesis, Toxicological, and Environmental Concerns,” Nanotechnology Reviews 7, no. 5 (2018): 413–41.
  • N. L. Hadipour, A. Ahmadi Peyghan, and H. Soleymanabadi, “Theoretical Study on the Al-Doped ZnO Nanoclusters for CO Chemical Sensors,” The Journal of Physical Chemistry C 119, no. 11 (2015): 6398–404. 019z.
  • E. Shakerzadeh, N. Barazesh, and S. Z. Talebi, “A Comparative Theoretical Studyon the Structural, Electronic and Nonlinear Optical Features of B12N12 and Al12N12 Nanoclusters with the Groups III, IV and V Dopants,” Superlattices and Microstructures 76 (2014): 264–76.
  • M. T. Baei, “DFT Study of CO2 Adsorption on the Zn12O12 Nano-Cage,” Bulletin of the Korean Chemical Society 34, no. 12 (2013): 3722–6.
  • A. D. Becke, “Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior,” Physical Review. A, General Physics 38, no. 6 (1988): 3098–100.
  • A. Soltani, A. S. Ghasemi, M. B. Javan, F. Ashrafi, J. C. Ince, and F. Heidari, “Adsorption of HCOH and H2S Molecules on Al12P12 Fullerene: A DFT Study,” Adsorption 25, no. 2 (2019): 235–45.
  • S. A. Aravindh, I. S. Roqan, and H. Alawadhi, “Density Functional Theory Studies of Zn12O12 Clusters Doped with Mg/Eu and Defect Complexes,” Journal of Cluster Science 32, no. 1 (2021): 55–62.
  • M. E. Belghiti, S. Echihi, A. Mahsoune, Y. Karzazi, A. Aboulmouhajir, A. Dafali, and I. Bahadur, “Piperine Derivatives as Green Corrosion Inhibitors on Iron Surface; DFT, Monte Carlo Dynamics Study and Complexation Modes,” Journal of Molecular Liquids 261 (2018): 62–75.
  • A. S. Rad, S. M. Aghaei, H. Pazoki, E. Binaeian, and M. Mirzaei, “Surface Interaction of H2O and H2S onto Ca12O12 Nanocluster: Quantum‐Chemical Analyses,” Surface and Interface Analysis 50, no. 4 (2018): 411–9.
  • F. Kayadibi, S. Zor, and S. G. Sagdinc, “Experimental and Theoretical Evaluation of the Inhibition Properties of Ketoprofen for the Corrosion of a Copper Surface in Hydrochloric Acid,” Protection of Metals and Physical Chemistry of Surfaces 52, no. 2 (2016): 356–71.
  • A. S. Rad, and K. Ayub, “Adsorption of Pyrrole on Al12N12, Al12P12, B12N12, and B12P12 Fullerene‐like Nano‐Cages; a First Principles Study,” Vacuum 131 (2016): 135–41.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.