Simulation Studies of Nearest-Neighbor Distribution Functions and Related Structural Properties for Hard-Sphere Systems

Korean Journal of Chemical Engineering

Volumn 17, Issue 3, 2000, Pages 351-356

  Suh, Soong Hyuck ^a   Min, Woong Ki ^a   Chihaia, Viorel ^a   Lee, Jae Wook ^b   Kim, Soon Chul ^c  

^a Keimyung University   (South Korea)

^b Seonam University   (South Korea)

^c Andong National University   (South Korea)

Author keywords

Exclusion Probability Function; Molecular Dynamics Simulation; Nearest Neighbor Distribution

Indexed keywords

EID: 0034417033     PISSN: 02561115     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02699052     Document Type: Article

References (15)

1. Alder, B. J. and Wainwright, T. E., "Studies in Molecular Dynamics. I. General Method," J. Chem. Phys., 31, 459 (1959).
2. Alder, P. M., "Porous Media: Geometry and Transport," Butterworth-Heinemann, Boston (1992).
3. Allen, M. P. and Tildesley, D. J., "Computer Simulation of Liquids," Clarendon, Oxford (1987).
4. Aoki, K., Yokoyama, S., Kusakabe, K. and Morooka, S., "Preparation of Supported Palladium Membrane and Separation of Hydrogen," Korean J. Chem. Eng., 13, 530 (1996).
5. Dullien, F. A. L., "Porous Media: Fluid Transport and Pore Structure," Academic, New York (1992).
6. Gubbins, K. E. and Quirke, V., "Molecular Simulation and Industrial Applications: Methods, Examples and Prospects," Gordon and Breach, London (1997).
7. Hansen, J. P. and McDonald, I. R., "Theory of Simple Liquids," Academic, New York (1976).
8. MacElroy, J. M. D., "Diffusion in Polymers," Neogi, P., ed., Marcel Dekker, New York (1996).
9. Quintanilla, J. and Torquato, S., "Microstructure Functions for a Model of Statistically Inhomogeneous Random Media," Phys. Rev. E, 55, 1558 (1997).
10. Reed, T. M. and Gubbins, K. E., "Applied Statistical Mechanics," McGraw-Hill, New York (1973).
11. Rintoul, M. D., Torquato, S., Yeong, C., Keane, D. T, Erramili, S., Jun, Y. N. and Dabbs, D. M., "Structure and Transport Properties of a Porous Magnetic Gel Via X-Ray Microtomography," Phys. Rev. E, 54, 2663 (1996).
12. Suh, S.-H., Min, W.-K. and Kim, S.-C., "Molecular Simulation Studies for Knudsen Diffusion in the Overlapping Sphere Pore Model," HWAHAK KONGHAK, 37, 557 (1999).
13. Suh, S.-H., Min, W.-K. and MacElroy, J. M. D., "Simulation Studies for Porosity and Specific Surface Area in the Penetrable-Concentric-Shell Model Pore," Bull. Korean Chem. Soc., 20, (in press).
14. Torquato, S., Lu, B. and Rubinstein J., "Nearest-Neighbor Distribution Functions in Many-Body Systems," Phys. Rev. A, 41, 2059 (1990).
15. Torquato, S. and Avellaneda, M., "Diffusion and Reaction in Heterogeneous Media: Pore Size Distribution, Relaxation Times, and Mean Survival Time," J. Chem. Phys., 95, 6477 (1991).