Solid-liquid equilibria and triple points of n-6 Lennard-Jones fluids

Journal of Chemical Physics

Volumn 131, Issue 17, 2009, Pages

  Ahmed, Alauddin ^a   Sadus, Richard J ^a  

^a SWINBURNE UNIVERSITY OF TECHNOLOGY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL EXPRESSIONS; LENNARD JONES FLUID; LENNARD-JONES POTENTIAL; LINDEMANN MELTING; MISCIBILITY GAP; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; PRESSURE AND TEMPERATURE; PRESSURE SCALE; RELATIVE DENSITY; SIMPLE LINEAR RELATIONSHIP; SIMULATION DATA; SOLID DENSITY; SOLID LIQUID EQUILIBRIUM; SOLID-LIQUID COEXISTENCE; TRIPLE POINTS; VAPOR-LIQUID;

MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

LIQUIDS;

EID: 70449429367     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3253686     Document Type: Article

References (48)

1. P. A. Monson and D. A. Kofke, Adv. Chem. Phys. 0065-2385 115, 113 (2000). 10.1002/9780470141748.ch2
2. D. Frenkel and J. P. McTague, Annu. Rev. Phys. Chem. 0066-426X 31, 491 (1980). 10.1146/annurev.pc.31.100180.002423
3. J. A. Barker and D. Henderson, J. Chem. Phys. 0021-9606 47, 4714 (1967). 10.1063/1.1701689
4. J. D. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. 0021-9606 54, 5237 (1971). 10.1063/1.1674820
5. H. C. Longuet-Higgins and B. Widom, Mol. Phys. 0026-8976 8, 549 (1964). 10.1080/00268976400100611
6. H. Meyer, O. Biermann, R. Faller, D. Reith, and F. Müller-Plathe, J. Chem. Phys. 0021-9606 113, 6264 (2000). 10.1063/1.1308542 (Pubitemid 30969909)
7. H. Okumura and F. Yonezawa, J. Chem. Phys. 0021-9606 113, 9162 (2000). 10.1063/1.1320828 (Pubitemid 32033382)
8. I. Charpentier and N. Jakse, J. Chem. Phys. 0021-9606 123, 204910 (2005). 10.1063/1.2117010
9. K. Kiyohara, T. Spyriouni, K. E. Gubbins, and A. Z. Panagiotopoulos, Mol. Phys. 0026-8976 89, 965 (1996).
10. D. Heyes and J. Powles, Mol. Phys. 0026-8976 95, 259 (1998). 10.1080/00268979809483158
11. D. Heyes, G. Rickayzen, and A. Brańka, Mol. Phys. 0026-8976 102, 2057 (2004). 10.1080/00268970412331292830
12. P. A. Gordon, J. Chem. Phys. 0021-9606 125, 014504 (2006). 10.1063/1.2208359 (Pubitemid 44025503)
13. J. Ge, G. -W. Wu, B. D. Todd, and R. J. Sadus, J. Chem. Phys. 0021-9606 119, 11017 (2003). 10.1063/1.1623476
14. L. Wang and R. J. Sadus, Phys. Rev. E 1063-651X 74, 031203 (2006). 10.1103/PhysRevE.74.031203 (Pubitemid 44418677)
15. D. A. Kofke, J. Chem. Phys. 0021-9606 98, 4149 (1993) 10.1063/1.465023; R. Agrawal and D. A. Kofke, Mol. Phys. 0026-8976 85, 43 (1995). 10.1080/00268979500100921
16. J. -P. Hansen and L. Verlet, Phys. Rev. 0096-8250 184, 151 (1969) 10.1103/PhysRev.184.151; J. -P. Hansen, Phys. Rev. A 1050-2947 2, 221 (1970). 10.1103/PhysRevA.2.221
17. W. B. Streett, H. J. Ravech́, and R. D. Mountain, J. Chem. Phys. 0021-9606 61, 1960 (1974) 10.1063/1.1682197; H. J. Ravech́, R. D. Mountain, and W. B. Streett, J. Chem. Phys. 0021-9606 61, 1970 (1974). 10.1063/1.1682198
18. A. J. C. Ladd and L. V. Woodcock, Chem. Phys. Lett. 0009-2614 51, 155 (1977) 10.1016/0009-2614(77)85375-X; A. J. C. Ladd and L. V. Woodcock, Mol. Phys. 0026-8976 36, 611 (1978). 10.1080/00268977800101791
19. K. Chokappa and P. Clancy, Mol. Phys. 0026-8976 61, 597 (1987) 10.1080/00268978700101341; K. Chokappa and P. Clancy, Mol. Phys. 0026-8976 61, 617 (1987). 10.1080/00268978700101351
20. T. -J. Hsu and C. -Y. Mou, Mol. Phys. 0026-8976 75, 1329 (1992). 10.1080/00268979200101011
21. A. Barroso and A. L. Ferreira, J. Chem. Phys. 0021-9606 116, 7145 (2002). 10.1063/1.1464828 (Pubitemid 34537095)
22. J. R. Morris and X. Song, J. Chem. Phys. 0021-9606 116, 9352 (2002). 10.1063/1.1474581 (Pubitemid 34632523)
23. J. R. Errington, J. Chem. Phys. 0021-9606 120, 3130 (2004). 10.1063/1.1642591
24. E. A. Mastny and J. J. de Pablo, J. Chem. Phys. 0021-9606 122, 124109 (2005) 10.1063/1.1874792; E. A. Mastny and J. J. de Pablo, J. Chem. Phys. 0021-9606 127, 104504 (2007). 10.1063/1.2753149
25. G. C. McNeil-Watson and N. B. Wilding, J. Chem. Phys. 0021-9606 124, 064504 (2006). 10.1063/1.2166395 (Pubitemid 43248030)
26. D. J. Evans and G. P. Morriss, Statistical Mechanics of Nonequilibrium Liquids, 2nd ed. (Academic, New York, 2008).
27. R. J. Sadus, Molecular Simulation of Fluids: Theory, Algorithms, and Object-Orientation (Elsevier, Amsterdam, 1999).
28. D. J. Evans, W. G. Hoover, B. H. Failor, B. Moran, and A. J. C. Ladd, Phys. Rev. A 1050-2947 28, 1016 (1983). 10.1103/PhysRevA.28.1016
29. C. W. Gear, Numerical Initial Value Problems in Ordinary Differential Equations (Prentice-Hall, Englewood Cliffs, NJ, 1971).
30. W. G. Hoover, M. Ross, K. W. Johnson, D. Henderson, J. A. Barker, and B. C. Brown, J. Chem. Phys. 0021-9606 52, 4931 (1970). 10.1063/1.1672728
31. J. N. Cape and L. V. Woodcock, Chem. Phys. Lett. 0009-2614 59, 271 (1978). 10.1016/0009-2614(78)89094-0
32. R. Agrawal and D. A. Kofke, Phys. Rev. Lett. 0031-9007 74, 122 (1995). 10.1103/PhysRevLett.74.122
33. D. C. Wang and A. P. Gast, J. Phys.: Condens. Matter 0953-8984 11, 10133 (1999). 10.1088/0953-8984/11/50/307
34. S. Hess, M. Kröger, and H. Voigt, Physica A 0378-4371 250, 58 (1998). 10.1016/S0378-4371(97)00612-2
35. W. G. Hoover, S. G. Gray, and K. W. Johnson, J. Chem. Phys. 0021-9606 55, 1128 (1971). 10.1063/1.1676196
36. W. G. Hoover and F. H. Ree, J. Chem. Phys. 0021-9606 49, 3609 (1968). 10.1063/1.1670641
37. W. T. Ashurst and W. G. Hoover, Phys. Rev. A 1050-2947 11, 658 (1975). 10.1103/PhysRevA.11.658
38. H. Matsuda and Y. Hiwatari, in Cooperative Phenomena, edited by, H. Haken, and, M. Wagner, (Springer, New York, 1973).
39. M. A. van der Hoef, J. Chem. Phys. 0021-9606 113, 8142 (2000). 10.1063/1.1314342 (Pubitemid 32023215)
40. D. A. Kofke, in Monte Carlo Methods in Chemistry, Advances in Chemical Physics Vol. 105, edited by, D. M. Ferguson, J. I. Siepmann, and, D. G. Truhlar, (Wiley, New York, 1999).
41. P. J. Camp and G. N. Patey, J. Chem. Phys. 0021-9606 114, 399 (2001) 10.1063/1.1329134; P. J. Camp, Phys. Rev. E 1063-651X 67, 011503 (2003). 10.1103/PhysRevE.67.011503
42. Y. S. Wei and R. J. Sadus, AIChE J. 0001-1541 46, 169 (2000). 10.1002/aic.690460119
43. F. A. Lindemann, Phys. Z. 0369-982X 11, 609 (1910).
44. F. E. Simon and G. Z. Glatzel, Z. Anorg. Allg. Chem. 0044-2313 178, 309 (1929). 10.1002/zaac.19291780123
45. R. K. Crawford and W. B. Daniels, J. Chem. Phys. 0021-9606 55, 565 (1971).
46. M. Ross, Phys. Rev. 0096-8250 184, 233 (1969). 10.1103/PhysRev.184.233
47. P. V. Giaquinta and G. Giunta, Physica A 0378-4371 187, 145 (1992). 10.1016/0378-4371(92)90415-M
48. S. -N. Luo, A. Strachan, and D. C. Swift, J. Chem. Phys. 0021-9606 122, 194709 (2005). 10.1063/1.1902948 (Pubitemid 40914346)