Effect of ionic size on the structure of cylindrical electric double layers: A systematic study by monte carlo simulations and density functional theory

Journal of Physical Chemistry B

Volumn 115, Issue 37, 2011, Pages 10903-10910

  Goel, Teena ^a   Patra, Chandra N ^a,b   Ghosh, Swapan K ^a   Mukherjee, Tulsi ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

^b HOMI BHABHA NATIONAL INSTITUTE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CAPACITANCE; COMPUTER SIMULATION; ELECTROCHEMISTRY; ELECTROLYTES; MONTE CARLO METHODS; SOLVENTS; SPHERES; ZETA POTENTIAL;

CANONICAL ENSEMBLE; CHARGED CYLINDERS; CHARGED HARD SPHERES; CYLINDRICAL CELLS; DIFFERENTIAL CAPACITANCE; DIFFUSE LAYERS; DIVALENT COUNTERIONS; DOUBLE LAYERS; ELECTRIC DOUBLE LAYER; HARD SPHERE CONTRIBUTION; HARD SPHERES; IONIC CONCENTRATIONS; IONIC DENSITIES; IONIC INTERACTION; IONIC SIZES; IONIC VALENCE; LOW CONCENTRATIONS; MONTE CARLO SIMULATION; PARAMETRIC CONDITIONS; POLYIONS; POTENTIAL PROFILES; POTENTIAL VALUES; PRIMITIVE MODEL; RESTRICTED PRIMITIVE MODEL; SOLVENT MOLECULES; STERIC EFFECT; SYSTEMATIC STUDY; WEIGHTED DENSITY;

DENSITY FUNCTIONAL THEORY;

EID: 80052841370     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp203779t     Document Type: Article

References (73)

1. Bockris, J.O'M.; Reddy, A. K. N. Modern Electrochemistry 1: Ionics; Plenum Press: New York, 1998.
2. Vold, R. D.; Vold, M. J. Colloid and Interface Chemistry; Addison Wesley: Reading MA, 1983.
3. Carnie, S. L.; Torrie, G. M. Adv. Chem. Phys. 1984, 56, 141
4. Hansen, J. P.; Löwen, H. Annu. Rev. Phys. Chem. 2000, 51, 209
5. Bhuiyan, L. B.; Outhwaite, C. W.; van der Maarel, J. R. C. Phys. A 1996, 231, 295
6. Zakharova, S. S.; Egelhaaf, S. U.; Bhuiyan, L. B.; Outhwaite, C. W.; Bratko, D.; van der Maarel, J. R. C. J. Chem. Phys. 1999, 111, 10706
7. Israelachvili, J. Intermolecular and Surface Forces; Academic Press: New York, 1992.
8. Imaging of Surfaces and Interfaces; Lipkowski, J.; Ross, P., Eds.; Wiley-VCH: New York, 1999.
9. Levin, Y. Rep. Prog. Phys. 2002, 65, 1577
10. Torrie, G. M.; Valleau, J. P. J. Chem. Phys. 1980, 73, 5807
11. J. Phys. Chem. 1982, 86, 3251.
12. Groot, R. D. Phys. Rev. A 1988, 37, 3456
13. Groot, R. D.; Van Der Eerden, J. P. J. Electroanal. Chem. 1988, 247, 73
14. Mier-y-Teran, L.; Suh, S. H.; White, H. S.; Davis, H. T. J. Chem. Phys. 1990, 92, 5087
15. Patra, C. N.; Ghosh, S. K. J. Chem. Phys. 1994, 100, 5219
16. J. Chem. Phys. 1994, 101, 4143.
17. Boda, D.; Henderson, D.; Plaschko, P.; Fawcett, W. R. Mol. Simul. 2004, 116, 7170
18. Bhuiyan, L. B.; Outhwaite, C. W. Phys. Chem. Chem. Phys. 2004, 6, 3467
19. Pizio, O.; Patrykiejew, A.; Sokolowski, S. J. Chem. Phys. 2004, 121, 11957
20. Boda, D.; Fawcett, W. R.; Henderson, D.; Sokolowski, S. J. Chem. Phys. 2002, 116, 7170
21. Patra, C. N.; Ghosh, S. K. Phys. Rev. E 1993, 47, 4088
22. Yu, Y.-X.; Wu, J.; Gao, G.-H. J. Chem. Phys. 2004, 120, 7223
23. Guerrero-García, G. I.; González-Tovar, E.; Lozada-Cassou, M.; Guevara-Rodríguez, F. de J. J. Chem. Phys. 2005, 123, 034703
24. Goel, T.; Patra, C. N. J. Chem. Phys. 2007, 127, 034502
25. Patra, C. N. J. Phys. Chem. B 2009, 113, 13980
26. Mills, P.; Anderson, C. F.; Record, M. T., Jr. J. Phys. Chem. 1985, 89, 3984
27. González-Tovar, E.; Lozada-Cassou, M.; Henderson, D. J. Chem. Phys. 1985, 83, 361
28. Outhwaite, C. J. Chem. Soc., Faraday Trans. 2 1986, 82, 789
29. Patra, C. N.; Yethiraj, A. J. Phys. Chem. B 1999, 103, 6080
30. Wang, K.; Yu, Y.-X.; Gao, G.-H. Phys. Rev. E 2004, 70, 011912
31. Patra, C. N.; Bhuiyan, L. B. Condens. Matter Phys. 2005, 8, 425
32. Goel, T.; Patra, C. N.; Ghosh, S. K.; Mukherjee, T. J. Chem. Phys. 2008, 129, 154906.
33. Patra, C. N.; Yethiraj, A. Biophys. J. 2000, 78, 699
34. Rickayzen, G. J. Chem. Phys. 1999, 111, 1109
35. Bulavchenko, A. I.; Batishchev, A. F.; Batishcheva, E. K.; Torgov, V. G. J. Phys. Chem. B 2002, 106, 6381
36. Katchalsky, A. Pure Appl. Chem. 1971, 26, 327
37. Mott, N. F.; Watts-Tobin, R. J. Electrochim. Acta 1961, 4, 79
38. Verwey, E. J. W.; Overbeek, J; Th., G. Theory of the stability of lyophobic colloids; Elsevier: Amsterdam, 1948.
39. Tang, Z.; Scriven, L. E.; Davis, H. T. J. Chem. Phys. 1992, 97, 494
40. Goel, T.; Patra, C. N.; Ghosh, S. K.; Mukherjee, T. J. Chem. Phys. 2008, 129, 154707
41. Lamperski, S.; Pluciennik, M. Mol. Simul. 2010, 36, 111
42. Bhuiyan, L. B.; Vlachy, V.; Outhwaite, C. W. Int. Rev. Phys. Chem. 2002, 21, 1
43. Beveridge, D. L.; Ravishanker, G. Curr. Opin. Struct. Biol. 1994, 4, 246
44. Bloomfield, V. Biopolymers 1991, 31, 1471
45. Petris, S. N.; Chan, D. Y. C.; Linse, P. J. Chem. Phys. 2003, 118, 5248
46. Fundamentals of Inhomogeneous Fluids; Henderson, D., Ed.; Dekker: New York, 1992.
47. Lozada-Cassou, M.; Saavedra-Barrera, R.; Henderson, D. J. Chem. Phys. 1982, 77, 5150
48. Lozada-Cassou, M. J. Phys. Chem. 1983, 87, 3729
49. Das, T.; Bratko, D.; Bhuiyan, L. B.; Outhwaite, C. W. J. Phys. Chem. 1995, 99, 410
50. Das, T.; Bratko, D.; Bhuiyan, L. B.; Outhwaite, C. W. J. Chem. Phys. 1997, 107, 9197
51. Bhuiyan, L. B.; Outhwaite, C. W. J. Chem. Phys. 2002, 116, 2650
52. Ni, H.; Anderson, C. F.; Record, M. T., Jr. J. Phys. Chem. B 1999, 103, 3489
53. Evans, R. In Fundamentals of Inhomogeneous Fluids; Henderson, D., Ed.; Dekker: New York, 1992.
54. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Oxford University Press: New York, 1987.
55. Degrève, L.; Lozada-Cassou, M. Mol. Phys. 1995, 86, 759
56. Terao, T.; Nakayama, T. Phys. Rev. E 2001, 63, 041401
57. Zhang, L.; Davis, H. T.; White, H. S. J. Chem. Phys. 1993, 98, 5793
58. Boda, D.; Henderson, D.; Patrykiejew, A.; Sokolowski, S. J. Chem. Phys. 2000, 113, 802
59. Boda, D.; Chan, K.-Y.; Henderson, D. J. Chem. Phys. 1998, 109, 7362
60. Blum, L.; Lebowitz, J. L.; Henderson, D. J. Chem. Phys. 1980, 72, 4249
61. Landau, L. D.; Lifshitz, E. M. Electrodynamics of Continuous Media; Pergamon: Oxford, 1960; Chap. 3.
62. Goel, T.; Patra, C. N.; Ghosh, S. K.; Mukherjee, T. J. Chem. Phys. 2010, 132, 194706
63. Denton, A. R.; Ashcroft, N. W. Phys. Rev. A 1991, 44, 8242
64. Waisman, E.; Lebowitz, J. L. J. Chem. Phys. 1972, 56, 3086
65. 1972, 56, 3093.
66. Lozada-Cassou, M.; Henderson, D. J. Phys. Chem. 1983, 87, 2821
67. Goel, T.; Patra, C. N.; Ghosh, S. K.; Mukherjee, T. Mol. Phys. 2009, 107, 1
68. Modak, B.; Patra, C. N.; Ghosh, S. K.; Vijayasundar, J. Mol. Phys. 2011, 109, 639
69. Metropolis, N.; Rosenbluth, A. W.; Rosenbluth, M. N.; Teller, A. H.; Teller, E. J. Chem. Phys. 1953, 21, 1087
70. Murthy, C.; Bacquet, R. J.; Rossky, P. J. J. Phys. Chem. 1985, 89, 701
71. González-Tovar, E.; Jimènez-Àngeles, F.; Messina, R.; Lozada-Cassou, M. J. Chem. Phys. 2004, 120, 9782
72. Montoro, J. C. G.; Abascal, J. L. F. J. Chem. Phys. 1995, 103, 8273
73. Wang, Z.; Ma, Y. J. Chem. Phys. 2009, 131, 244715