Preparation of porous carbons based on polyvinylidene fluoride for CO2 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

12 Citations (Scopus)

Abstract

Microporous carbons were developed for CO2 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 CO2 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 m2 g-1 and 0.416 cm3 g-1, respectively, and the highest CO2 adsorption capacity of 3.59 mol kg-1 was obtained at 25 °C and ∼1 bar in PVDF carbonized at 800 °C. The carbonized PVDFs also exhibited highly stable CO2 adsorption uptake and rapid kinetics through repeated adsorption-desorption cycles, showing that carbonized PVDFs are promising adsorbents for CO2 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 CO2 molecule.

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

Fingerprint

carbonization
Carbonization
vinylidene
fluorides
Carbon
Adsorption
preparation
adsorption
Fluorine
carbon
fluorine
Density functional theory
density functional theory
adsorbents
Specific surface area
Temperature
Adsorbents
temperature
Desorption
desorption

All Science Journal Classification (ASJC) codes

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

Cite this

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title = "Preparation of porous carbons based on polyvinylidene fluoride for CO2 adsorption: A combined experimental and computational study",
abstract = "Microporous carbons were developed for CO2 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 CO2 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 m2 g-1 and 0.416 cm3 g-1, respectively, and the highest CO2 adsorption capacity of 3.59 mol kg-1 was obtained at 25 °C and ∼1 bar in PVDF carbonized at 800 °C. The carbonized PVDFs also exhibited highly stable CO2 adsorption uptake and rapid kinetics through repeated adsorption-desorption cycles, showing that carbonized PVDFs are promising adsorbents for CO2 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 CO2 molecule.",
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Preparation of porous carbons based on polyvinylidene fluoride for CO2 adsorption : A combined experimental and computational study. / Hong, Seok Min; Lim, Geunsik; Kim, Sung Hyun; Kim, Jong Hak; Lee, Ki Bong; Ham, Hyung Chul.

In: Microporous and Mesoporous Materials, Vol. 219, 17.08.2016, p. 59-65.

Research output: Contribution to journalArticle

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AU - Hong, Seok Min

AU - Lim, Geunsik

AU - Kim, Sung Hyun

AU - Kim, Jong Hak

AU - Lee, Ki Bong

AU - Ham, Hyung Chul

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