Vapor-liquid nucleation of argon: Exploration of various intermolecular potentials

Journal of Chemical Physics

Volumn 133, Issue 8, 2010, Pages

  McGrath, Matthew J ^a   Ghogomu, Julius N ^b   Tsona, Narcisse T ^b   Siepmann, J Ilja ^c   Chen, Bin ^d   Napari, Ismo ^a   Vehkamäki, Hanna ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

^b UNIVERSITY OF DSCHANG   (Cameroon)

^c UNIVERSITY OF MINNESOTA   (United States)

^d LOUISIANA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; CLASSICAL NUCLEATION THEORY; CRITICAL NUCLEI; EFFECTIVE DIAMETER; INTERMOLECULAR POTENTIALS; LENNARD JONES; LENNARD-JONES POTENTIAL; MACROSCOPIC PROPERTIES; MONTE CARLO SIMULATION; PAIR POTENTIAL; SEMI-EMPIRICAL; SIMULATION STUDIES; UMBRELLA SAMPLING; VAPOR-LIQUID;

ARGON; COMPUTER SIMULATION; LIQUIDS; MONTE CARLO METHODS; NUCLEATION; VAPORS;

DENSITY FUNCTIONAL THEORY;

EID: 77956318870     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3474945     Document Type: Article

References (105)

1. J. H. Seinfeld and S. N. Pandis, Atmospheric Chemistry and Physics: From Air Pollution to Climate Change (Wiley, New York, 1998).
2. D. W. Oxtoby, J. Phys.: Condens. Matter JCOMEL 0953-8984 4, 7627 (1992). 10.1088/0953-8984/4/38/001
3. J. D. Gunton, J. Stat. Phys. JSTPBS 0022-4715 95, 903 (1999). 10.1023/A:1004598332758
4. B. Senger, P. Schaaf, D. S. Corti, R. Bowles, J. -C. Voegel, and H. Reiss, J. Chem. Phys. JCPSA6 0021-9606 110, 6421 (1999). 10.1063/1.478545
5. V. I. Kalikmanov, J. Wölk, and T. Kraska, J. Chem. Phys. JCPSA6 0021-9606 128, 124506 (2008). 10.1063/1.2888995 (Pubitemid 351474097)
6. R. Becker and W. Döring, Ann. Phys. ANPYA2 0003-3804 416, 719 (1935). 10.1002/andp.19354160806
7. H. Reiss, J. Chem. Phys. JCPSA6 0021-9606 18, 840 (1950). 10.1063/1.1747784
8. D. Kashchiev, J. Chem. Phys. JCPSA6 0021-9606 76, 5098 (1982). 10.1063/1.442808
9. H. Reiss, A. Tabazadeh, and J. Talbot, J. Chem. Phys. JCPSA6 0021-9606 92, 1266 (1990). 10.1063/1.458136
10. D. W. Oxtoby and D. Kashchiev, J. Chem. Phys. JCPSA6 0021-9606 100, 7665 (1994). 10.1063/1.466859
11. R. McGraw and A. Laaksonen, Phys. Rev. Lett. PRLTAO 0031-9007 76, 2754 (1996). 10.1103/PhysRevLett.76.2754
12. I. J. Ford, Phys. Rev. E PLEEE8 1063-651X 56, 5615 (1997). 10.1103/PhysRevE.56.5615
13. V. Talanquer, J. Chem. Phys. JCPSA6 0021-9606 106, 9957 (1997). 10.1063/1.473884
14. K. Koga and X. C. Zeng, J. Chem. Phys. JCPSA6 0021-9606 110, 3466 (1999). 10.1063/1.478214
15. M. P. Moody and P. Attard, J. Chem. Phys. JCPSA6 0021-9606 117, 6705 (2002). 10.1063/1.1505865 (Pubitemid 35327224)
16. S. V. Vosel, A. A. Onischuk, and P. A. Purtov, J. Chem. Phys. JCPSA6 0021-9606 131, 204508 (2009). 10.1063/1.3258643
17. A. Dillmann and G. E. A. Meier, J. Chem. Phys. JCPSA6 0021-9606 94, 3872 (1991). 10.1063/1.460663
18. C. F. Delale and G. E. A. Meier, J. Chem. Phys. JCPSA6 0021-9606 98, 9850 (1993). 10.1063/1.464363
19. V. I. Kalikmanov and M. E. H. van Dongen, J. Chem. Phys. JCPSA6 0021-9606 103, 4250 (1995). 10.1063/1.470662
20. I. J. Ford, A. Laaksonen, and M. Kulmala, J. Chem. Phys. JCPSA6 0021-9606 99, 764 (1993). 10.1063/1.465756
21. G. K. Schenter, S. M. Kathmann, and B. C. Garrett, Phys. Rev. Lett. PRLTAO 0031-9007 82, 3484 (1999). 10.1103/PhysRevLett.82.3484
22. K. J. Oh, X. C. Xeng, and H. Reiss, J. Chem. Phys. JCPSA6 0021-9606 107, 1242 (1997). 10.1063/1.474135
23. P. Schaaf, B. Senger, and H. Reiss, J. Phys. Chem. B JPCBFK 1089-5647 101, 8740 (1997). 10.1021/jp970428t
24. P. Schaaf, B. Senger, J. -C. Voegel, and H. Reiss, Phys. Rev. E PLEEE8 1063-651X 60, 771 (1999). 10.1103/PhysRevE.60.771
25. B. Senger, P. Schaaf, D. S. Corti, R. Bowles, D. Pointu, J. -C. Voegel, and H. Reiss, J. Chem. Phys. JCPSA6 0021-9606 110, 6438 (1999). 10.1063/1.478546
26. D. Reguera, R. K. Bowles, Y. Djikaev, and H. Reiss, J. Chem. Phys. JCPSA6 0021-9606 118, 340 (2003). 10.1063/1.1524192
27. V. I. Kalikmanov, J. Chem. Phys. JCPSA6 0021-9606 124, 124505 (2006). 10.1063/1.2178812
28. D. Reguera and H. Reiss, Phys. Rev. Lett. PRLTAO 0031-9007 93, 165701 (2004). 10.1103/PhysRevLett.93.165701
29. R. Zandi, D. Reguera, and H. Reiss, J. Phys. Chem. B JPCBFK 1089-5647 110, 22251 (2006). 10.1021/jp057418+
30. D. W. Oxtoby and R. Evans, J. Chem. Phys. JCPSA6 0021-9606 89, 7521 (1988). 10.1063/1.455285
31. X. C. Zeng and D. W. Oxtoby, J. Chem. Phys. JCPSA6 0021-9606 94, 4472 (1991). 10.1063/1.460603
32. V. Talanquer and D. W. Oxtoby, J. Chem. Phys. JCPSA6 0021-9606 100, 5190 (1994). 10.1063/1.467183
33. V. Talanquer and D. W. Oxtoby, J. Phys. Chem. JPCHAX 0022-3654 99, 2865 (1995). 10.1021/j100009a049
34. J. Barrett, J. Chem. Phys. JCPSA6 0021-9606 107, 7989 (1997). 10.1063/1.475061
35. D. Reguera and H. Reiss, J. Chem. Phys. JCPSA6 0021-9606 120, 2558 (2004). 10.1063/1.1638737
36. L. Gránásy, Z. Jurek, and D. W. Oxtoby, Phys. Rev. E PLEEE8 1063-651X 62, 7486 (2000). 10.1103/PhysRevE.62.7486 (Pubitemid 32033235)
37. R. M. Nyquist, V. Talanquer, and D. W. Oxtoby, J. Chem. Phys. JCPSA6 0021-9606 103, 1175 (1995). 10.1063/1.469827
38. J. Julin, I. Napari, J. Merikanto, and H. Vehkamäki, J. Chem. Phys. JCPSA6 0021-9606 129, 234506 (2008). 10.1063/1.3040245
39. K. Laasonen, S. Wonczak, R. Strey, and A. Laaksonen, J. Chem. Phys. JCPSA6 0021-9606 113, 9741 (2000). 10.1063/1.1322082 (Pubitemid 32085155)
40. J. Wedekind, J. Wölk, D. Reguera, and R. Strey, J. Chem. Phys. JCPSA6 0021-9606 127, 154515 (2007). 10.1063/1.2784122 (Pubitemid 351260787)
41. G. Chkonia, J. Wölk, R. Strey, J. Wedekind, and D. Reguera, J. Chem. Phys. JCPSA6 0021-9606 130, 064505 (2009). 10.1063/1.3072794
42. J. Julin, I. Napari, and H. Vehkamäki, J. Chem. Phys. JCPSA6 0021-9606 126, 224517 (2007). 10.1063/1.2740269 (Pubitemid 46961604)
43. M. Horsch and J. Vrabec, J. Chem. Phys. JCPSA6 0021-9606 131, 184104 (2009). 10.1063/1.3259696
44. J. Wedekind, G. Chkonia, J. Wölk, R. Strey, and D. Reguera, J. Chem. Phys. JCPSA6 0021-9606 131, 114506 (2009). 10.1063/1.3204448
45. J. L. Lee, J. A. Barker, and F. F. Abraham, J. Chem. Phys. JCPSA6 0021-9606 58, 3166 (1973). 10.1063/1.1679638
46. B. N. Hale and R. C. Ward, J. Stat. Phys. JSTPBS 0022-4715 28, 487 (1982). 10.1007/BF01008320
47. B. N. Hale, Aust. J. Phys. AUJPAS 0004-9506 49, 425 (1996).
48. A. V. Neimark and A. Vishnyakov, J. Chem. Phys. JCPSA6 0021-9606 122, 174508 (2005). 10.1063/1.1888389 (Pubitemid 40665984)
49. A. V. Neimark and A. Vishnyakov, J. Phys. Chem. B JPCBFK 1089-5647 109, 5962 (2005). 10.1021/jp0464066 (Pubitemid 40519507)
50. A. Lauri, J. Merikanto, E. Zapadinsky, and H. Vehkamäki, Atmos. Res. ATREEW 0169-8095 82, 489 (2006). 10.1016/j.atmosres.2006.02.006 (Pubitemid 44774302)
51. H. Vehkamäki and I. J. Ford, J. Chem. Phys. JCPSA6 0021-9606 112, 4193 (2000). 10.1063/1.480964
52. J. Merikanto, E. Zapadinsky, A. Lauri, and H. Vehkamäki, Phys. Rev. Lett. PRLTAO 0031-9007 98, 145702 (2007). 10.1103/PhysRevLett.98.145702 (Pubitemid 46557460)
53. P. R. ten Wolde and D. Frenkel, J. Chem. Phys. JCPSA6 0021-9606 109, 9901 (1998). 10.1063/1.477658 (Pubitemid 128678420)
54. I. Kusaka and D. W. Oxtoby, J. Chem. Phys. JCPSA6 0021-9606 110, 5249 (1999). 10.1063/1.478421
55. K. J. Oh and X. C. Zeng, J. Chem. Phys. JCPSA6 0021-9606 112, 294 (2000). 10.1063/1.480580
56. B. Chen, J. I. Siepmann, K. J. Oh, and M. L. Klein, J. Chem. Phys. JCPSA6 0021-9606 115, 10903 (2001). 10.1063/1.1417536 (Pubitemid 34061289)
57. B. J. C. Wu, P. P. Wegener, and G. D. Stein, J. Chem. Phys. JCPSA6 0021-9606 69, 1776 (1978). 10.1063/1.436711
58. R. A. Zahoransky, J. Höschele, and J. Steinwandel, J. Chem. Phys. JCPSA6 0021-9606 103, 9038 (1995). 10.1063/1.470014
59. R. A. Zahoransky, J. Höschele, and J. Steinwandel, J. Chem. Phys. JCPSA6 0021-9606 110, 8842 (1999). 10.1063/1.478790
60. A. Fladerer and R. Strey, J. Chem. Phys. JCPSA6 0021-9606 124, 164710 (2006). 10.1063/1.2186327
61. K. Iland, J. Wölk, R. Strey, and D. Kashchiev, J. Chem. Phys. JCPSA6 0021-9606 127, 154506 (2007). 10.1063/1.2764486 (Pubitemid 351260778)
62. S. Sinha, A. Bhabhe, H. Laksmono, J. Wölk, R. Strey, and B. Wyslouzil, J. Chem. Phys. JCPSA6 0021-9606 132, 064304 (2010). 10.1063/1.3299273
63. M. Iwamatsu, Chin. J. Phys. (Taipei) CJOPAW 0577-9073 33, 139 (1995).
64. J. Barrett, J. Chem. Phys. JCPSA6 0021-9606 111, 5938 (1999). 10.1063/1.479889
65. G. Wilemski and J. -S. Li, J. Chem. Phys. JCPSA6 0021-9606 121, 7821 (2004). 10.1063/1.1801273
66. S. M. Kathmann, G. K. Schenter, and B. C. Garrett, J. Chem. Phys. JCPSA6 0021-9606 116, 5046 (2002). 10.1063/1.1451059 (Pubitemid 34923863)
67. S. M. Kathmann, G. K. Schenter, and B. C. Garrett, J. Chem. Phys. JCPSA6 0021-9606 120, 9133 (2004). 10.1063/1.1695323
68. J. Merikanto, H. Vehkamäki, and E. Zapadinsky, J. Chem. Phys. JCPSA6 0021-9606 121, 914 (2004). 10.1063/1.1740754
69. B. Chen, J. I. Siepmann, and M. L. Klein, J. Phys. Chem. A JPCAFH 1089-5639 109, 1137 (2005). 10.1021/jp0463722 (Pubitemid 40296751)
70. I. E. Parra and J. C. Graa, J. Chem. Phys. JCPSA6 0021-9606 132, 034702 (2010). 10.1063/1.3292000
71. B. Smit, J. Chem. Phys. JCPSA6 0021-9606 96, 8639 (1992). 10.1063/1.462271
72. Fundamentals of Inhomogeneous Fluids, edited by, D. Henderson, (Marcel Dekker, New York, 1992).
73. A. Laaksonen, V. Talanquer, and D. W. Oxtoby, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 46, 489 (1995). 10.1146/annurev.pc.46.100195.002421
74. N. F. Carnahan and K. E. Starling, J. Chem. Phys. JCPSA6 0021-9606 51, 635 (1969). 10.1063/1.1672048
75. J. D. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. JCPSA6 0021-9606 54, 5237 (1971). 10.1063/1.1674820
76. B. Lu, R. Evans, and M. M. Telo da Gama, Mol. Phys. MOPHAM 0026-8976 55, 1319 (1985). 10.1080/00268978500102041
77. B. Chen, J. I. Siepmann, K. J. Oh, and M. L. Klein, J. Chem. Phys. JCPSA6 0021-9606 116, 4317 (2002). 10.1063/1.1445751 (Pubitemid 34452767)
78. S. M. Kathmann, G. K. Schenter, B. C. Garrett, B. Chen, and J. I. Siepmann, J. Phys. Chem. C JPCCCK 1932-7447 113, 10354 (2009). 10.1021/jp8092226
79. J. J. Potoff and A. Z. Panagiotopoulos, J. Chem. Phys. JCPSA6 0021-9606 109, 10914 (1998). 10.1063/1.477787 (Pubitemid 128675140)
80. National Institute of Standards and Technology Chemistry Webbook, http://webbook.nist.gov/chemistry/.
81. A. A. Abrahamson, Phys. Rev. PHRVAO 0031-899X 130, 693 (1963). 10.1103/PhysRev.130.693
82. E. A. Mason and W. E. Rice, J. Chem. Phys. JCPSA6 0021-9606 22, 843 (1954). 10.1063/1.1740200
83. R. J. Sadus and J. M. Prausnitz, J. Chem. Phys. JCPSA6 0021-9606 104, 4784 (1996). 10.1063/1.471172
84. G. Marcelli and R. J. Sadus, J. Chem. Phys. JCPSA6 0021-9606 111, 1533 (1999). 10.1063/1.479412
85. J. A. Barker, R. A. Fisher, and R. O. Watts, Mol. Phys. MOPHAM 0026-8976 21, 657 (1971). 10.1080/00268977100101821
86. A. E. Nasrabad and R. Laghaei, J. Chem. Phys. JCPSA6 0021-9606 125, 084510 (2006). 10.1063/1.2338310 (Pubitemid 44320070)
87. A. E. Nasrabad, J. Chem. Phys. JCPSA6 0021-9606 129, 244504 (2008). 10.1063/1.3046564
88. M. Mecke, J. Winkelmann, and J. Fischer, J. Chem. Phys. JCPSA6 0021-9606 107, 9264 (1997). 10.1063/1.475217
89. B. Chen, H. Kim, S. J. Keasler, and R. B. Nellas, J. Phys. Chem. B JPCBFK 1089-5647 112, 4067 (2008). 10.1021/jp709693g
90. E. Salomons and M. Mareschal, J. Phys.: Condens. Matter JCOMEL 0953-8984 3, 3645 (1991). 10.1088/0953-8984/3/20/025
91. A. Z. Panagiotopoulos, Mol. Phys. MOPHAM 0026-8976 61, 813 (1987). 10.1080/00268978700101491
92. A. Z. Panagiotopoulos, N. Quirke, M. Stapleton, and D. J. Tildesley, Mol. Phys. MOPHAM 0026-8976 63, 527 (1988). 10.1080/00268978800100361
93. B. Smit and D. Frenkel, Mol. Phys. MOPHAM 0026-8976 68, 951 (1989). 10.1080/00268978900102651
94. D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic, London, 2002).
95. J. I. Siepmann, I. R. McDonald, and D. Frenkel, J. Phys.: Condens. Matter JCOMEL 0953-8984 4, 679 (1992). 10.1088/0953-8984/4/3/009
96. M. G. Martin and J. I. Siepmann, Theor. Chem. Acc. TCACFW 1432-881X 99, 347 (1998).
97. B. Chen and J. I. Siepmann, J. Phys. Chem. B JPCBFK 1089-5647 104, 8725 (2000). 10.1021/jp001952u
98. B. Chen and J. Ilja Siepmann, J. Phys. Chem. B JPCBFK 1089-5647 105, 11275 (2001). 10.1021/jp012209k (Pubitemid 35338479)
99. F. H. Stillinger, Jr., J. Chem. Phys. JCPSA6 0021-9606 38, 1486 (1963). 10.1063/1.1776907
100. J. I. Siepmann and D. Frenkel, Mol. Phys. MOPHAM 0026-8976 75, 59 (1992). 10.1080/00268979200100061
101. N. B. Wilding, Phys. Rev. E PLEEE8 1063-651X 52, 602 (1995). 10.1103/PhysRevE.52.602
102. G. M. Torrie and J. P. Valleau, Chem. Phys. Lett. CHPLBC 0009-2614 28, 578 (1974). 10.1016/0009-2614(74)80109-0
103. J. R. Errington and A. Z. Panagiotopoulos, J. Chem. Phys. JCPSA6 0021-9606 109, 1093 (1998). 10.1063/1.476652 (Pubitemid 128678519)
104. N. T. Tsona, " Monte Carlo simulation of the homogeneous vapor-liquid nucleation of some rare gases.," M.S. thesis, University of Dschang, Cameroon, 2008.
105. J. -P. Hansen and I. R. McDonald, Theory of Simple Liquids, 3rd ed. (Elsevier, San Diego, 2006).