Preparation of porous carbons based on polyvinylidene fluoride for CO<inf>2</inf> adsorption: A combined experimental and computational study

Seok Min Hong, Geunsik Lim, Sung Hyun Kim, Jong Hak Kim, Ki Bong Lee, Hyung Chul Ham

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

Microporous carbons were developed for CO<inf>2</inf> capture from polyvinylidene fluoride (PVDF) via a simple carbonization method. The carbonization was carried out in the temperature range of 400-800 °C, and the effects of the carbonization temperature on the characteristics and CO<inf>2</inf> adsorption behavior of the prepared carbon materials were investigated by both experiments and density functional theory studies. The textural characteristics of the carbon materials were highly dependent on the carbonization temperature, and narrow micropores (<0.7 nm) were predominantly generated from the decomposition of PVDF giving off fluorine during carbonization. The specific surface area and pore volume increased up to 1011 m<sup>2</sup> g<sup>-1</sup> and 0.416 cm<sup>3</sup> g<sup>-1</sup>, respectively, and the highest CO<inf>2</inf> adsorption capacity of 3.59 mol kg<sup>-1</sup> was obtained at 25 °C and ∼1 bar in PVDF carbonized at 800 °C. The carbonized PVDFs also exhibited highly stable CO<inf>2</inf> adsorption uptake and rapid kinetics through repeated adsorption-desorption cycles, showing that carbonized PVDFs are promising adsorbents for CO<inf>2</inf> capture. The density functional theory calculation suggested that stable configuration with favorable adsorption energy can be introduced by the removal of fluorine from PVDF, which results in the reduction of repulsive interactions between electronegative fluorine in PVDF and oxygen in CO<inf>2</inf> molecule.

Original languageEnglish
Pages (from-to)59-65
Number of pages7
JournalMicroporous and Mesoporous Materials
Volume219
DOIs
Publication statusPublished - 2016 Aug 17

Keywords

  • Adsorption
  • CO<inf>2</inf> capture
  • DFT calculation
  • Polyvinylidene fluoride
  • Porous carbon

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Chemistry(all)
  • Condensed Matter Physics

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