A molecular simulation study of pore networking effects

Molecular Simulation

Volumn 19, Issue 5-6, 1997, Pages 267-283

  Maddox, M W ^a   Quirke, N ^b   Gubbins, K E ^a  

^a Cornell University   (United States)

^b BANGOR UNIVERSITY   (United Kingdom)

Author keywords

Adsorption; Grand canonical molecular dynamics; Hysteresis; Pore networks; Slit pores

Indexed keywords

EID: 0000200853     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927029708024157     Document Type: Article

References (14)

1. Gregg, S. J. and Sing, K. S. W. (1982). "Adsorption, Surface Area and Porosity", 2nd ed., Academic Press, London.
2. Lastoskie, C. M., Gubbins, K. E. and Quirke, N. (1993). "Pore size heterogeneity and the carbon slit model", Langmuir, 9, 2693-2702.
3. Lastoskie, C. M., Gubbins, K. E. and Quirke, N. (1993). "Pore size distribution analysis of microporous carbons", J. Phys. Chem., 97, 4786-4796.
4. Lastoskie, C. M., Gubbins, K. E. and Quirke, N. (1994). Characterization of Porous Solids III, ed. by Rouquerol, J., Rodriguez-Reinoso, F., Sing, K. S. W. and Unger, K. K. Elsevier, Amsterdam, 51-60.
5. Maddox, M. W., Lastoskie, C. M., Quirke, N. and Gubbins, K. E. (1996). Fundamentals of Adsorption, ed. by LeVan, M. D. Kluwer Academic Publishers, Boston, 571-578.
6. Cielinski, M. M. (1985). M. S. Thesis., Univ. of Maine, Orono, ME; Cielinski, M. M. and Quirke, N. (1985) unpublished.
7. Cielinski, M. M. (1985). M. S. Thesis., Univ. of Maine, Orono, ME; Cielinski, M. M. and Quirke, N. (1985) unpublished.
8. Cracknell, R. F., Nicholson, D. and Quirke, N. (1995). "Direct molecular dynamic simulation of flow down a chemical potential gradient in a slit shaped micropore" Phys. Rev. Lett., 74, 2463.
9. Quirke, N. (1996). "Some recent developments in computational chemistry", Mol. Sim., 16, 193-208.
10. Allen, M. P. and Tildesley, D. J. (1987). "Computer Simulation of Liquids", Oxford University Press, Oxford.
11. Lotfi, A., Vrabec, J. and Fischer, J. (1992). Mol. Phys., 76, 1319-1333.
12. Johnson, J. K., Zollweg, J. A. and Gubbins, K. E. (1993). Mol. Phys., 78, 591-618.
13. Nakashima, M., Shimada, S. and Inagaki, M. (1995). Carbon, in press.
14. Steele, W. A. (1974). The Interaction of Gases with Solid Surfaces, Pergamon Press, Oxford.