Binary nucleation of sulfuric acid-water: Monte Carlo simulation

Journal of Chemical Physics

Volumn 108, Issue 16, 1998, Pages 6829-6848

  Kusaka, I ^a   Wang, Z G ^a   Seinfeld, J H ^a  

^a California Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000314479     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476097     Document Type: Article

References (106)

1. H. Reiss, J. Chem. Phys. 18, 840 (1950).
2. D. Stauffer, J. Aerosol Sci. 7, 319 (1976).
3. V. A. Shneidman and M. C. Weinberg, J. Chem. Phys. 97, 3621 (1992).
4. V. A. Shneidman and M. C. Weinberg, J. Chem. Phys. 97, 3629 (1992).
5. L. M. Berezhkovskii and V. Yu. Zitserman, J. Chem. Phys. 102, 3331 (1995).
6. Z. Kožíšek and P. Demo, J. Chem. Phys. 102, 7595 (1995).
7. B. E. Wyslouzil and G. Wilemski, J. Chem. Phys. 103, 1137 (1995).
8. Nucleation, edited by A. C. Zettlemoyer (Marcel Dekker, New York, 1969).
9. G. S. Springer, Adv. Heat Transfer 14, 281 (1978).
10. D. W. Oxtoby, J. Phys.: Condens. Matter 4, 7627 (1992).
11. G. J. Doyle, J. Chem. Phys. 35, 795 (1961).
12. P. Mirabel and J. L. Katz, J. Chem. Phys. 60, 1138 (1974).
13. P. Mirabel and J. L. Ponche, Chem. Phys. Lett. 183, 21 (1991).
14. R. H. Heist and H. Reiss, J. Chem. Phys. 61, 573 (1974).
15. W. J. Shugard, R. H. Heist, and H. Reiss, J. Chem. Phys. 61, 5298 (1974).
16. W. J. Shugard and H. Reiss, J. Chem. Phys. 65, 2827 (1976).
17. F. J. Schelling and H. Reiss, J. Chem. Phys. 74, 3527 (1981).
18. A. Jaecker-Voirol, P. Mirabel, and H. Reiss, J. Chem. Phys. 87, 4849 (1987).
19. A. Jaecker-Voirol and P. Mirabel, J. Phys. Chem. 92, 3518 (1988).
20. A. Jaecker-Voirol and P. Mirabel, Atmos. Environ. 23, 2053 (1989).
21. M. Kulmala and A. Laaksonen, J. Chem. Phys. 93, 696 (1990).
22. M. Kulmala, M. Lazaridis, A. Laaksonen, and T. Vesala, J. Chem. Phys. 94, 7411 (1991).
23. A. Laaksonen and M. Kulmala, J. Am. Med. Assoc. 22, 779 (1991).
24. M. Lazaridis, M. Kulmala, and A. Laaksonen, J. Aerosol Sci. 22, 823 (1991).
25. K. Nishioka and K. Fujita, J. Chem. Phys. 100, 532 (1994).
26. R. McGraw, J. Chem. Phys. 102, 2098 (1995).
27. H. Reiss, D. I. Margolese, and F. J. Schelling, J. Colloid Interface Sci. 56, 511 (1976).
28. D. Boulaud, G. Madeleine, D. Vigla, and J. Bricard, J. Chem. Phys. 66, 4854 (1977).
29. P. Mirabel and J. L. Clavelin, J. Chem. Phys. 68, 5020 (1978).
30. F. J. Schelling and H. Reiss, J. Colloid Interface Sci. 83, 246 (1981).
31. B. E. Wyslouzil, J. H. Seinfeld, R. C. Flagan, and K. Okuyama, J. Chem. Phys. 94, 6842 (1991).
32. Y. Viisanen, M. Kulmala, and A. Laaksonen, J. Chem. Phys. 107, 920 (1997).
33. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1987).
34. J. K. Lee, J. A. Barker, and F. F. Abraham, J. Chem. Phys. 58, 3166 (1973).
35. H. Reiss, A. Tabazadeh, and J. Talbot, J. Chem. Phys. 92, 1266 (1990).
36. H. M. Ellerby, C. L. Weakliem, and H. Reiss, J. Chem. Phys. 95, 9209 (1991)
37. H. M. Ellerby and H. Reiss, J. Chem. Phys. 97, 5766 (1992).
38. C. L. Weakliem and H. Reiss, J. Chem. Phys. 99, 5374 (1993).
39. C. L. Weakliem and H. Reiss, J. Chem. Phys. 101, 2398 (1994).
40. K. J. Oh, X. C. Zeng, and H. Reiss, J. Chem. Phys. 107, 1242 (1997).
41. D. I. Zhukhovitskii, J. Chem. Phys. 103, 9401 (1995).
42. R. Evans, Adv. Phys. 28, 143 (1979).
43. D. W. Oxtoby and R. Evans, J. Chem. Phys. 89, 7521 (1988).
44. X. C. Zeng and D. W. Oxtoby, J. Chem. Phys. 94, 4472 (1991).
45. X. C. Zeng and D. W. Oxtoby, J. Chem. Phys. 95, 5940 (1991).
46. V. Talanquer and D. W. Oxtoby, J. Chem. Phys. 99, 4670 (1993).
47. V. Talanquer and D. W. Oxtoby, J. Chem. Phys. 102, 2156 (1995).
48. V. Talanquer and D. W. Oxtoby, J. Chem. Phys. 103, 3686 (1995).
49. V. Talanquer and D. W. Oxtoby, J. Phys. Chem. 99, 2865 (1995).
50. D. W. Oxtoby, V. Talanquer, and A. Laaksonen, in Nucleation and Atmospheric Aerosols, Proceedings of the 14th International Conference on Nucleation and Atmospheric Aerosols, edited by M. Kulmala and P. E. Wagner (Pergamon, New York, 1996), pp. 21-29.
51. I. Kusaka, Z.-G. Wang, and J. H. Seinfeld, J. Chem. Phys. 102, 913 (1995).
52. I. Kusaka, Z.-G. Wang, and J. H. Seinfeld, J. Chem. Phys. 103, 8993 (1995).
53. V. Talanquer and D. W. Oxtoby, J. Chem. Phys. 106, 3673 (1997).
54. E. Kochanski et al., J. Chim. Phys. Phys.-Chim. Biol. 88, 2451 (1991).
55. R. Kelterbaum, N. Turki, A. Rahmouni, and E. Kochanski, J. Mol. Struct.: THEOCHEM 314, 191 (1994).
56. R. L. Kuczkowski, R. D. Suenram, and F. J. Lovas, J. Am. Chem. Soc. 103, 2561 (1981).
57. J. W. Gibbs, The Scientific Papers of J. Willard Gibbs (Dover, New York, 1961), Vol. I.
58. I. Kusaka, Z.-G. Wang, and J. H. Seinfeld, Presented at the 14th International Conference on Nucleation and Atmospheric Aerosols in Helsinki, 1996.
59. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 (1987).
60. W. R. Cannon, B. M. Pettitt, and J. A. McCammon, J. Phys. Chem. 98, 6225 (1994).
61. A. Loewenstein and A. Szöke, J. Am. Chem. Soc. 84, 1151 (1962).
62. Z. Luz and S. Meiboom, J. Am. Chem. Soc. 86, 4768 (1964).
63. B. N. Hale and S. M. Kathmann, in Ref. 50, pp. 30-33.
64. T. H. Lay (private communication).
65. F. H. Stillinger and C. W. David, J. Chem. Phys. 69, 1473 (1978).
66. J. W. Halley, J. R. Rustad, and A. Rahman, J. Chem. Phys. 98, 4110 (1993).
67. L. Kurdi and E. Kochanski, Chem. Phys. Lett. 158, 111 (1989).
68. D. K. Remler and P. A. Madden, Mol. Phys. 70, 921 (1990).
69. K. Laasonen, M. Sprik, M. Parrinello, and R. Car, J. Chem. Phys. 99, 9080 (1993).
70. M. Tuckerman, K. Laasonen, M. Sprik, and M. Parrinello, J. Phys. Chem. 99, 5749 (1995).
71. M. Tuckerman, K. Laasonen, M. Sprik, and M. Parrinello, J. Chem. Phys. 103, 150 (1995).
72. R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
73. Y. K. Lau, S. Ikuta, and P. Kebarle, J. Am. Chem. Soc. 104, 1462 (1982).
74. X. Yang and A. W. Castleman, Jr., J. Am. Chem. Soc. 111, 6845 (1989).
75. X. Yang and A. W. Castleman, Jr., J. Geophys. Res. 96, 22573 (1991).
76. Z. Shi, J. V. Ford, S. Wei, and A. W. Castleman, Jr., J. Chem. Phys. 99, 8009 (1993).
77. M. D. Newton, J. Chem. Phys. 67, 5535 (1977).
78. C. K. Lutrus, D. E. Hagen, and S. H. S. Salk, Atmos. Environ., Part A 24A, 1397 (1990).
79. M. W. Jurema, K. N. Kirschner, and G. C. Shields, J. Comput. Chem. 14, 1326 (1993).
80. A. Khan, Chem. Phys. Lett. 217, 443 (1994).
81. R. Kelterbaum and E. Kochanski, J. Phys. Chem. 99, 12493 (1995).
82. Y. Guissani and B. Guillot, J. Chem. Phys. 98, 8221 (1993).
83. J. Alejandre, D. J. Tildesley, and G. A. Chapela, J. Chem. Phys. 102, 4574 (1995).
84. R. S. Taylor, L. X. Dang, and B. C. Garrett, J. Phys. Chem. 100, 11720 (1996).
85. E. Kochanski, J. Chim. Phys. Phys.-Chim. Biol. 8, 605 (1984).
86. S. L. Fornili, M. Migliore, and M. A. Palazzo, Chem. Phys. Lett. 125, 419 (1986).
87. Y. Guissani, B. Guillot, and S. Bratos, J. Chem. Phys. 88, 5850 (1988).
88. R. E. Kozack and P. C. Jordan, J. Chem. Phys. 96, 3131 (1992).
89. W. R. Rodwell and L. Radom, J. Am. Chem. Soc. 103, 2865 (1981).
90. K. Morokuma and C. Muguruma, J. Am. Chem. Soc. 116, 10316 (1994).
91. W. Studziński, G. H. Spiegel, and R. A. Zahoransky, J. Chem. Phys. 84, 4008 (1986).
92. J. L. Katz, H. Saltsburg, and H. Reiss, J. Colloid Interface Sci. 21, 560 (1966).
93. K. Nishioka and G. M. Pound, Adv. Colloid Interface Sci. 7, 205 (1977).
94. R. Kubo, Statistical Mechanics (Elsevier, Amsterdam, 1965).
95. I. Kusaka, Z.-G. Wang, and J. H. Seinfeld, J. Chem. Phys. 108, 3416 (1998).
96. S. Tabata, J. Appl. Meteorol. 12, 1410 (1973).
97. Pictures of clusters were produced by a program RASMOL developed by Dr. R. Sayle.
98. H. Resat and M. Mezei, Biophys. J. 71, 1179 (1996).
99. Thermodynamic data necessary in classical theory are obtained from the program kindly provided to us by Dr. Markku Kulmala.
100. D. Kashchiev, J. Chem. Phys. 76, 5098 (1982).
101. Y. Viisanen, R. Strey, and H. Reiss, J. Chem. Phys. 99, 4680 (1993).
102. R. Strey and Y. Viisanen, J. Chem. Phys. 99, 4693 (1993).
103. D. W. Oxtoby and D. Kashchiev, J. Chem. Phys. 100, 7665 (1994).
104. H. B. Callen, Thermodynamics and an Introduction to Thermostatistics, 2nd ed. (Wiley, New York, 1985).
105. I. Prigogine and R. Defay, Chemical Thermodynamics (Longmans, London, 1954), translated by D. H. Everett.
106. S. G. Lias et al., J. Phys. Chem. Ref. Data Suppl. 1 17, 1 (1988).