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    Optimization of Slitlike Carbon Nanopores for Storage of hythane Fuel at Ambient Temperatures

    Access Status
    Fulltext not available
    Authors
    Kowalczyk, Poitr
    Bhatia, S.
    Date
    2006
    Type
    Journal Article
    
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    Citation
    Kowalczyk, P. and Bhatia, S. 2006. Optimization of Slitlike Carbon Nanopores for Storage of hythane Fuel at Ambient Temperatures. Journal of Physical Chemistry. 110 (47): pp. 23770-23776.
    Source Title
    Journal of Physical Chemistry
    DOI
    10.1021/jp064428h
    ISSN
    0022-3654
    URI
    http://hdl.handle.net/20.500.11937/6890
    Collection
    • Curtin Research Publications
    Abstract

    Carbons with slitlike pores can serve as effective host materials for storage of hythane fuel, a bridge between the petrol combustion and hydrogen fuel cells. We have used grand canonical Monte Carlo simulation for the modeling of the hydrogen and methane mixture storage at 293 K and pressure of methane and hydrogen mixture up to 2 MPa. We have found that these pores serve as efficient vessels for the storage of hythane fuel near ambient temperatures and low pressures. We find that, for carbons having optimized slitlike pores of size H = 7 Å (pore width that can accommodate one adsorbed methane layer), and bulk hydrogen mole fraction g0.9, the volumetric stored energy exceeds the 2010 target of 5.4 MJ dm-3 established by the U.S. FreedomCAR Partnership. At the same condition, the content of hydrogen in slitlike carbon pores is =7% by energy. Thus, we have obtained the composition corresponding to hythane fuel in carbon nanospaces with greatly enhanced volumetric energy in comparison to the traditional compression method. We proposed the simple system with added extra container filled with pure free/adsorbed methane for adjusting the composition of the desorbed mixture as needed during delivery. Our simulation results indicate that light slit pore carbon nanomaterials with optimized parameters are suitable filling vessels for storage of hythane fuel. The proposed simple system consisting of main vessel with physisorbed hythane fuel, and an extra container filled with pure free/adsorbed methane will be particularly suitable for combustion of hythane fuel in buses and passenger cars near ambient temperatures and low pressures.

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