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Unveiling the impact of enhanced hydrophobicity of ZIF-71 on butanol purification: insights from experimental and molecular simulations

Dalton Transactions, ISSN: 1477-9234, Vol: 53, Issue: 47, Page: 18998-19006
2024
  • 0
    Citations
  • 0
    Usage
  • 3
    Captures
  • 1
    Mentions
  • 84
    Social Media
Metric Options:   Counts1 Year3 Year

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  • Captures
    3
  • Mentions
    1
    • News Mentions
      1
      • 1
  • Social Media
    84
    • Shares, Likes & Comments
      84
      • Facebook
        84

Most Recent News

Universidad Autonoma de Nuevo Leon Reports Findings in Chemicals and Chemistry (Unveiling the impact of enhanced hydrophobicity of ZIF-71 on butanol purification: insights from experimental and molecular simulations)

2024 OCT 23 (NewsRx) -- By a News Reporter-Staff News Editor at Chemicals & Chemistry Daily Daily -- New research on Chemicals and Chemistry is

Article Description

Biofuels offer significant potential for reducing carbon emissions and enhancing energy sustainability, but their efficient purification remains a significant challenge. In this study, the performance of a hydrophobic zeolitic imidazolate framework, ZIF-71(ClBr)-SE, in the adsorptive separation of butanol from single- and ternary-component systems (acetone, butanol, and ethanol) was investigated and compared with ZIF-8 and ZIF-71. Physicochemical characterization techniques, including XRD, SEM, BET, TGA, and DVS, confirmed that the modified ZIF-71 is hydrophobic, isostructural with ZIF-71, and has a higher surface area. Adsorption tests in aqueous solutions revealed that ZIF-71(ClBr)-SE unexpectedly showed a higher affinity for acetone over butanol. DFT molecular simulations provided insights into solute-ZIF interactions, highlighting preferential sites for ZIF interaction.

Bibliographic Details

Tiempos-Flores, Norma; Arillo-Flores, Oscar I; Hernández-Fernández, Eugenio; Ovando-Medina, Victor M; Garza-Navarro, Marco A; Pioquito-García, Sandra; Davila-Guzman, Nancy E

Royal Society of Chemistry (RSC)

Chemistry

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