Long range corrections for computer simulations of adsorption

Molecular Physics

Volumn 100, Issue 13, 2002, Pages 2025-2030

  Siperstein, F ^a   Myers, A L ^a   Talu, O ^b  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b Cleveland State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ANISOTROPY; APPROXIMATION THEORY; COMPUTER SIMULATION; FREE ENERGY; POTENTIAL ENERGY;

RADIAL DISTRIBUTION FUNCTION;

MOLECULAR DYNAMICS;

EID: 0037055345     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970110109916     Document Type: Article

References (27)

1. Allen, M.P., and Tildesley, D.J., 1987, Computer Simulation of Liquids (Oxford: Clarendon Press) p. 28.
2. Rowley, L.A., Nicholson, D., and Parsonage, N.G., 1978, J. comput. Phys., 26, 66.
3. Goodbody, S.J., Watanabe, K., MacGowan, D., Walton, J.P.R.B., and Quirke, N., 1991, J. chem. Soc. Faraday Trans, 87, 1951.
4. Smit, B., 1995, J. Phys. Chem., 99, 5597.
5. Hill, T.L., 1986, An Introduction to Statistical Thermodynamics (New York: Dover) p. 303.
6. Steele, W.A., 1974, The Interaction of Gases with Solid Surfaces (Oxford: Pergamon Press).
7. Everett, D.H., and Powl, J.C., 1976, J. chem. Soc. Faraday Trans. 1, 72, 619.
8. Myers, A.L., Calles, J.A., and Calleja, G., 1997, Adsorption, 3, 107.
9. Valenzuela, D.P., and Myers, A.L., 1989, Adsorption Equilibrium Data Handbook (Englewood Cliffs, NJ: Prentice-Hall).
10. Macedonia, M., and Maginn, E., 1999, Molec. Phys., 96, 1375.
11. Demontis, P., Fois, E.S., Suffritti, G.B., and Quartieri, S., 1990, J. phys. Chem., 94, 4329.
12. June, R.L., Bell, A.T., and Theodorou, D.N., 1990, J. phys. Chem., 94, 8232.
13. June, R.L., Bell, A.T., and Theodorou, D.N., 1990, J. phys. Chem., 94, 1508.
14. Maginn, E.J., Bell, A.T., and Theodorou, D.N., 1995, J. Phys. Chem., 99, 2057.
15. Clark, L.A., Gupta, A., and Snurr, R.Q., 1998, J. Phys. Chem. B, 102, 6720.
16. Gupta, A., Clark, L.A., and Snurr, R.Q., 2000, Langmuir, 16, 3910.
17. Smit, B., and Siepmann, J.I., 1994, J. phys. Chem., 98, 8442.
18. Nowak, A.K., Den Ouden, C.J.J., Pickett, S.D., Smit, B., and Cheetham, A.K., 1991, J. phys. Chem., 95, 848.
19. Hufton, J.R., 1991, J. phys. Chem., 95, 8836.
20. Nicholas, J.B., Trouw, F.R., Mertz, J.E., Iton, L.E., and Hopfinger, A.J., 1993, J. phys. Chem., 97, 4149.
21. Ermoshin, V.A., and Engel, V., 1999, J. phys. Chem. A, 103, 5116.
22. Talu, O., and Myers, A.L., 2001, AIChE J., 47, 1160.
23. Suzuki, S., Takaba, H., Yamaguchi, T., and Nakao, S., 2000, J. phys. Chem. B., 104, 1971.
24. Olson, D.H., Kokotailo, G.T., Lawton, S.L., and Meier, W.M., 1981, J. phys. Chem., 85, 2238.
25. Dunne, J.A., Mariwala, R., Rao, M., Sircar, S., Gorte, R.J., and Myers, A.L., 1996, Langmuir, 12, 5888.
26. Bull, L.M., and Cheetham, A.K., 1997, Studies Surface Sci. Catal., 105, 471.
27. Borst, C., 1998, Diploma thesis, Technische Universität München.