Nonequilibrium molecular dynamics simulation of electro-osmotic flow in a charged nanopore

Journal of Chemical Physics

Volumn 119, Issue 14, 2003, Pages 7503-7511

  Thompson, Aidan P ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; COMPUTER SIMULATION; CONTINUUM MECHANICS; ELECTRIC FIELD EFFECTS; ELECTROLYTES; MOLECULAR DYNAMICS; NANOSTRUCTURED MATERIALS; POROSITY; SOLUTIONS; SURFACE ROUGHNESS; TRANSPORT PROPERTIES;

CHARGED NANOPORE; CONTINUUM TRANSPORT THEORIES; ELECTROMO-OSMOTIC FLOW; NONEQUILIBRIUM MOLECULAR DYNAMIC SIMULATION; POISEUILLE FLOW; STOCHASTIC SCATTERING BOUNDARY CONDITION;

ELECTROOSMOSIS;

EID: 0142149097     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1609194     Document Type: Article

References (26)

1. R. F. Probstein, Physicochemical Hydrodynamics, 2nd ed. (Wiley-Interscience, New York, 1994).
2. C. L. Rice and R. Whitehead, J. Phys. Chem. 69, 4017 (1965).
3. R. J. Gross and J. F. Osterle, J. Chem. Phys. 49, 228 (1968).
4. Y. Yang and P. Pintauro, AIChE J. 46, 1177 (2000).
5. C. Trozzi and G. Ciccotti, Phys. Rev. A 29, 916 (1984).
6. J. Koplik, J. R. Banavar, and J. F. Willemsen, Phys. Fluids A 1, 781 (1989).
7. P. A. Thompson and M. O. Robbins, Phys. Rev. A 41, 6830 (1990).
8. K. P. Travis, B. D. Todd, and D. J. Evans, Phys. Rev. E 55, 4288 (1997).
9. K. P. Travis and K. E. Gubbins, J. Chem. Phys. 112, 1984 (2000).
10. J. Lyklema, S. Rovillard, and J. DeConinck, Langmuir 14, 5659 (1998).
11. T. Mattke and H. Kecke, J. Colloid Interface Sci. 208, 555 (1998).
12. T. Mattke and H. Kecke, J. Colloid Interface Sci. 208, 562 (1998).
13. X. Din and E. Michaelides, AIChE J. 44, 35 (1998).
14. J. Freund, J. Chem. Phys. 116, 2194 (2002).
15. S. T. Cui and H. D. Cochran, J. Chem. Phys. 117, 5850 (2002).
16. D. Goulding, J. Hansen, and S. Melchionna, Phys. Rev. Lett. 85, 1132 (2000).
17. J. MacElroy and M. Boyle, Chem. Eng. J. 74, 85 (1999).
18. URL http://www.cs.sandia.gov/~sjplimp/lammps.html
19. S. Plimpton, J. Comput. Phys. 117, 1 (1995).
20. S. J. Plimpton, R. Pollock, and M. J. Stevens, in Proceedings of the Eighth SIAM Conference on Parallel Processing for Scientific Computing, Minneapolis, MN, 1997.
21. R. Brightwell, L. A. Fisk, D. S. Greenberg, T. Hudson, M. Levenhagen, A. B. Maccabe, and R. Riesen, Parallel Comput. 26, 243 (2000).
22. J.-P. Hansen and I. R. McDonald, Theory of Simple Liquids, 2nd ed. (Academic, London, 1986).
23. B. Massey, Mechanics of Fluids, 4th ed. (Van Nostrand Reinhold, London, 1979).
24. B. D. Todd, D. J. Evans, and P. J. Daivis, Phys. Rev. E 52, 1627 (1995).
25. L. A. Pozhar, Phys. Rev. E 61, 1432 (2000).
26. R. Qiao and N. R. Aluru, J. Chem. Phys. 118, 4692 (2003).