Computer simulation of hydrogen adsorption on graphitic materials

Molecular Simulation

Volumn 27, Issue 5-6, 2001, Pages 287-293

  Cracknell, Roger F ^a  

^a SHELL GLOBAL SOLUTIONS INTERNATIONAL B V   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0345858101     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020108031354     Document Type: Article

References (13)

1. Nicholson, D. and Parsonage, N.G. (1982) Computer Simulation and the Statistical Mechanics of Adsorption (Academic Press, London).
2. Cracknell, R.F. (2001) "Molecular Simulation of Hydrogen Adsorption in Graphitic Nanofibers", Phys. Chem. Chem. Phys. 3, 2091.
3. Chambers, A., Park, C., Baker, R.T.K. and Rodriguez, N.M. (1998) "Hydrogen storage in graphitic nanofibers", J. Phys. Chem. B 102, 4253.
4. Park, C., Anderson, P.E., Chambers, A., Tan, C.D., Hidalgo, R. and Rodriguez, N.M. (1999) "Further studies of the interaction of hydrogen with graphitic nanofiber"s, J. Phys. Chem. B 103, 10572.
5. Turpin, M.C. (2000)."Hydrogen storage in carbon nanofibres", Presentation to British Carbon Group conference on Chemical and Physical Characterisation of Carbonaceous Materials, April 10-11, Leeds, UK.
6. Dillon, A.C., Gennett, T., Allemann, J.L, Jones, K.M., Parilla, P.A. and Heben, M.J. (1999)."Carbon Nanotube Materials for Carbon Storage". Proceedings of the 1999 US DOE/NREL Hydrogen Program Review, "http://www.eren.doe.gov/hydrogen/docs/26938toc.html#storage".
7. Dillon, A.C. and Heben, M.J. (2001) "Hydrogen storage using carbon adsorbents: past, present and future", Appl. Phys. A-Mater. 72, 133.
8. Wang, Q. and Johnson, J.K. (1999) "Molecular simulation of hydrogen adsorption of graphite nanofibers", J. Chem. Phys. 110, 577.
9. Wang, Q. and Johnson, J.K. (1999) "Molecular simulation of hydrogen adsorption in single walled carbon nanotubes and idealized carbon slit pores", J. Phys. Chem. B 103, 277.
10. Buch, V. (1994) "Path integral simulations of mixed para-D2 and ortho D2 clusters: the orientational effects", J. Chem. Phys. 100, 7610.
11. Steele, WA. (1974) The Interaction of Gases with Solid Surfaces (Pergamon, Oxford).
12. Jeloaica, L. and Sidis, V. (1999) "DFT investigation of the adsorption of atomic hydrogen on a cluster model graphitic surface", Chem. Phys. Lett. 300, 157.
13. Cracknell, R.F., Gordon, P. and Gubbins, K.E. (1993) "Influence of pore geometry on the design of microporous materials for methane storage", J. Phys. Chem. 97, 494.