Monte Carlo simulation of electrical double-layer formation from mixtures of electrolytes inside nanopores

Journal of Chemical Physics

Volumn 128, Issue 4, 2008, Pages

  Hou, Chia Hung ^a   Taboada Serrano, Patricia ^a,b   Yiacoumi, Sotira ^a   Tsouris, Costas ^a,b  

^a Georgia Institute of Technology   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; IONIC STRENGTH; METAL IONS; MIXTURES; MONTE CARLO METHODS; NANOPORES; PARAMETER ESTIMATION; PORE SIZE;

ASYMMETRIC ELECTROLYTES; IONIC SPECIES; MONOVALENT IONS;

ELECTROLYTES;

EID: 38849151690     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2824957     Document Type: Article

References (40)

1. R. J. Hunter, Foundations of Colloid Science, 2nd ed. (Oxford University Press, Oxford, 2001).
2. E. Frackowiak and F. B́guin, Carbon CRBNAH 0008-6223 10.1016/S0008-6223(00)00183-4 39, 937 (2001).
3. C. J. Gabelich, T. D. Tran, and I. H. Suffet, Environ. Sci. Technol. ESTHAG 0013-936X 10.1021/es0112745 36, 3010 (2002).
4. T. Y. Ying, K. L. Yang, S. Yiacoumi, and C. Tsouris, J. Colloid Interface Sci. JCISA5 0021-9797 10.1006/jcis.2002.8314 250, 18 (2002).
5. K. L. Yang, S. Yiacoumi, and C. Tsouris, J. Electroanal. Chem. JECHES 0022-0728 10.1016/S0022-0728(02)01308-6 540, 159 (2003).
6. C. H. Hou, C. D. Liang, S. Yiacoumi, S. Dai, and C. Tsouris, J. Colloid Interface Sci. JCISA5 0021-9797 302, 54 (2006).
7. M. Nishizawa, V. P. Menon, and C. R. Martin, Science SCIEAS 0036-8075 10.1126/science.268.5211.700 268, 700 (1995).
8. P. J. Kemery, J. K. Steehler, and P. W. Bohn, Langmuir LANGD5 0743-7463 10.1021/la980147s 14, 2884 (1998).
9. W. Y. Lo, K. Y. Chan, M. Lee, and K. L. Mok, J. Electroanal. Chem. JECHES 0022-0728 10.1016/S0022-0728(97)00643-8 450, 265 (1998).
10. M. Lozada-Cassou and D. Henderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.442147 75, 1412 (1981).
11. M. Lozada-Cassou, R. Saavedra-Barrera, and D. Henderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.443691 77, 5150 (1982).
12. M. Lozada-Cassou, W. Olivares, and B. Sulbaran, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.53.522 53, 522 (1996).
13. G. M. Torrie and J. P. Valleau, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(79)87078-5 65, 343 (1979).
14. G. M. Torrie and J. P. Valleau, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.440065 73, 5807 (1980).
15. G. M. Torrie, J. P. Valleau, and G. N. Patey, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.443541 76, 4615 (1982).
16. J. P. Valleau and G. M. Torrie, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.443542 76, 4623 (1982).
17. G. M. Torrie and J. P. Valleau, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100213a035 86, 3251 (1982).
18. S. Lamperski and L. B. Bhuiyan, J. Electroanal. Chem. JECHES 0022-0728 10.1016/S0022-0728(02)01278-0 540, 79 (2003).
19. D. Boda, W. R. Fawcett, D. Henderson, and S. Sokolowski, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1464826 116, 7170 (2002).
20. M. Valiskó, D. Henderson, and D. Boda, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp0473873 108, 16548 (2004).
21. M. Quesada-Ṕrez, A. Martín-Molina, and R. Hidalgo-lvarez, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1798932 121, 8618 (2004).
22. P. Taboada-Serrano, S. Yiacoumi, and C. Tsouris, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1992484 123, 054703 (2005).
23. A. Martín-Molina, M. Quesada-Ṕrez, F. Galisteo- González, and R. Hidalgo-lvarez, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/15/48/008 15, S3475 (2003).
24. M. Quesada-Ṕrez, A. Martín-Molina, and R. Hidalgo-lvarez, Langmuir LANGD5 0743-7463 10.1021/la0505925 21, 9231 (2005).
25. A. Martín-Molina, M. Quesada-Ṕrez, and R. Hidalgo-lvarez, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp053970n 110, 1326 (2006).
26. H. Greberg and R. Kjellander, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.475681 108, 2940 (1998).
27. V. Vlachy and A. D. J. Haymet, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00184a012 111, 477 (1989).
28. V. Vlachy and A. D. J. Haymet, J. Electroanal. Chem. JECHES 0022-0728 283, 77 (1990).
29. B. Jamnik and V. Vlachy, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00055a040 115, 660 (1993).
30. B. Hribar, V. Vlachy, L. B. Bhuiyan, and C. W. Outhwaite, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp002217l 104, 11522 (2000).
31. B. Jamnik and V. Vlachy, J. Am. Chem. Soc. JACSAT 0002-7863 117, 8010 (1995).
32. D. Boda, M. Valiskó, B. Eisenberg, W. Nonner, D. Henderson, and D. Gillespie, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2212423 125, 034901 (2006).
33. D. Boda, M. Valiskó, B. Eisenberg, W. Nonner, D. Henderson, and D. Gillespie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98.168102 98, 168102 (2007).
34. G. Salitra, A. Soffer, L. Eliad, Y. Cohen, and D. Aurbach, J. Electrochem. Soc. JESOAN 0013-4651 10.1149/1.1393557 147, 2486 (2000).
35. L. Eliad, G. Salitra, A. Soffer, and D. Aurbach, J. Phys. Chem. B JPCBFK 1089-5647 105, 6880 (2001).
36. K. L. Yang, S. Yiacoumi, and C. Tsouris, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1511726 117, 8499 (2002).
37. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquid (Oxford University Press, New York, 1987).
38. D. Boda, K. Y. Chan, and D. Henderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477342 109, 7362 (1998).
39. J. P. Valleau and L. K. Cohen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.439092 72, 5935 (1980).
40. V. Vlachy, Langmuir LANGD5 0743-7463 10.1021/la000826e 17, 399 (2001).