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Modelling gas storage capacity for porous aromatic frameworks

Journal Article


Abstract


  • This paper examines the gas storage capacity of recently developed high-porosity materials known

    as porous aromatic frameworks (PAFs). We develop a mathematical model to examine the gravimetric

    and volumetric uptake capacities of both hydrogen and methane for PAFs. Our results indicate

    that hydrogen gravimetric and volumetric uptakes of PAF-301, PAF-302, PAF-303 and PAF-304 at

    77 K and 100 bar are (1.09 wt.%, 9.14 g/L), (6.43 wt.%, 20.26 g/L), (12.62 wt.%, 20.34 g/L) and

    (19.80 wt.%, 19.77 g/L), respectively. The gravimetric uptakes of PAF-303 and PAF-304 are reasonably

    high, while their volumetric uptakes are relatively low due to their very low bulk densities.

    Although high porosity is an important criterion for the design of gas-storage materials, our results

    show that it is not the dominating factor for determining gas-storage capacity of porous materials.

    A porous material with reasonably high porosity together with selectively highly-interacting components

    and a reasonable bulk density will have a higher storage capacity than materials with high

    porosities, such as PAF-304.

UOW Authors


  •   Tran-Duc, Thien (external author)
  •   Thamwattana, Natalie
  •   Baowan, Duangkamon (external author)

Publication Date


  • 2014

Citation


  • Tran-Duc, T., Thamwattana, N. & Baowan, D. (2014). Modelling gas storage capacity for porous aromatic frameworks. Journal of Computational and Theoretical Nanoscience, 11 (1), 1-8.

Scopus Eid


  • 2-s2.0-84889024780

Ro Metadata Url


  • http://ro.uow.edu.au/eispapers/3193

Has Global Citation Frequency


Number Of Pages


  • 7

Start Page


  • 1

End Page


  • 8

Volume


  • 11

Issue


  • 1

Place Of Publication


  • United States

Abstract


  • This paper examines the gas storage capacity of recently developed high-porosity materials known

    as porous aromatic frameworks (PAFs). We develop a mathematical model to examine the gravimetric

    and volumetric uptake capacities of both hydrogen and methane for PAFs. Our results indicate

    that hydrogen gravimetric and volumetric uptakes of PAF-301, PAF-302, PAF-303 and PAF-304 at

    77 K and 100 bar are (1.09 wt.%, 9.14 g/L), (6.43 wt.%, 20.26 g/L), (12.62 wt.%, 20.34 g/L) and

    (19.80 wt.%, 19.77 g/L), respectively. The gravimetric uptakes of PAF-303 and PAF-304 are reasonably

    high, while their volumetric uptakes are relatively low due to their very low bulk densities.

    Although high porosity is an important criterion for the design of gas-storage materials, our results

    show that it is not the dominating factor for determining gas-storage capacity of porous materials.

    A porous material with reasonably high porosity together with selectively highly-interacting components

    and a reasonable bulk density will have a higher storage capacity than materials with high

    porosities, such as PAF-304.

UOW Authors


  •   Tran-Duc, Thien (external author)
  •   Thamwattana, Natalie
  •   Baowan, Duangkamon (external author)

Publication Date


  • 2014

Citation


  • Tran-Duc, T., Thamwattana, N. & Baowan, D. (2014). Modelling gas storage capacity for porous aromatic frameworks. Journal of Computational and Theoretical Nanoscience, 11 (1), 1-8.

Scopus Eid


  • 2-s2.0-84889024780

Ro Metadata Url


  • http://ro.uow.edu.au/eispapers/3193

Has Global Citation Frequency


Number Of Pages


  • 7

Start Page


  • 1

End Page


  • 8

Volume


  • 11

Issue


  • 1

Place Of Publication


  • United States