Adsorption of methane and hydrogen on mesocarbon microbeads by experiment and molecular simulation
Article Abstract:
The diversified experimental results of hydrogen adsorption on carbonaceous porous materials are reported. The activated mesocarbon microbeads (a-MCMBs) with high BET specific surface area of 3180m(super2)/g are prepared to carry out the experiment. The results conclude that the adsorption of methane can reach 14.8 wt % on activated carbon fibers at 298 K and 4 MPa.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Hydrogen uptake in cluster-assembled carbon thin films: experiment and computer simulation
Article Abstract:
The storage capacity of hydrogen in cluster-assembled carbon films is investigated using X-ray absorption measurements and large-scale molecular dynamics simulations. The experiments and the simulations confirm that hydrogen is chemisorbed on the carbon and simulations explain about the spatial distribution of the sorption sites of atomic and molecular hydrogen.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Recombination and exchange reactions of hydrogen and dihydrogen molecular condensation in single-walled carbon nanotubes
Article Abstract:
The hydrogen recombination reaction and the hydrogen exchange reaction inside a single-walled carbon nanotube are described using quantum mechanics molecular dynamics solutions. The process of the reaction of individual H atoms to form H2 molecules, H2 molecular condensation to form clusters and finally to form condensed H2 molecular lattice are given in detail.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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