Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: Mixtures and soft particles

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 80, Issue 6, 2009, Pages

  Krekelberg, William P ^a   Pond, Mark J ^a   Goel, Gaurav ^a   Shen, Vincent K ^b   Errington, Jeffrey R ^c   Truskett, Thomas M ^a,d  

^a The University of Texas at Austin   (United States)

^b NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^c the State University of New York   (United States)

^d UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURATE PREDICTION; ADDITIVITY; DENSE FLUID; DIFFUSIVITIES; DILUTE LIMIT; EXCESS ENTROPY; FIRST-PRINCIPLES; GAUSSIANS; HARD-SPHERE; INDIVIDUAL COMPONENTS; INTER-PARTICLE INTERACTION; INTERMOLECULAR POTENTIALS; LIQUID-STATE THEORIES; MIXTURE CONCENTRATION; MOLECULAR SIMULATIONS; NON-ADDITIVE; PREDICTIVE VALUES; SCALINGS; SIMPLE FLUIDS; SINGLE VALUED FUNCTIONS; SOFT PARTICLES; STATIC STRUCTURES; TRANSPORT COEFFICIENT; TWO-COMPONENT MODEL;

ASSOCIATION REACTIONS; DIFFUSION; ENTROPY; FLUIDS; MIXTURES;

TRANSPORT PROPERTIES;

EID: 73649138269     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.80.061205     Document Type: Article

References (65)

1. Y. Rosenfeld, Phys. Rev. A 15, 2545 (1977). 10.1103/PhysRevA.15.2545
2. Y. Rosenfeld, J. Phys.: Condens. Matter 11, 5415 (1999). 10.1088/0953-8984/11/28/303
3. M. Dzugutov, Nature (London) 381, 137 (1996). 10.1038/381137a0
4. J. Mittal, J. Errington, and T. Truskett, J. Phys. Chem. B 111, 10054 (2007). 10.1021/jp071369e
5. E. H. Abramson, Phys. Rev. E 76, 051203 (2007). 10.1103/PhysRevE.76. 051203
6. E. H. Abramson and H. West-Foyle, Phys. Rev. E 77, 041202 (2008). 10.1103/PhysRevE.77.041202
7. E. H. Abramson, Phys. Rev. E 80, 021201 (2009). 10.1103/PhysRevE.80. 021201
8. J. Mittal, J. R. Errington, and T. M. Truskett, Phys. Rev. Lett. 96, 177804 (2006). 10.1103/PhysRevLett.96.177804
9. J. Mittal, J. R. Errington, and T. M. Truskett, J. Chem. Phys. 126, 244708 (2007). 10.1063/1.2748045
10. J. Mittal, V. K. Shen, J. R. Errington, and T. M. Truskett, J. Chem. Phys. 127, 154513 (2007). 10.1063/1.2795699
11. G. Goel, W. P. Krekelberg, M. J. Pond, J. Mittal, V. K. Shen, J. R. Errington, and T. M. Truskett, J. Stat. Mech.: Theory Exp. 2009, P04006 (2009). 10.1088/1742-5468/2009/04/P04006
12. G. Goel, W. P. Krekelberg, J. R. Errington, and T. M. Truskett, Phys. Rev. Lett. 100, 106001 (2008). 10.1103/PhysRevLett.100.106001
13. J. R. Errington and P. G. Debenedetti, Nature (London) 409, 318 (2001). 10.1038/35053024
14. M. S. Shell, P. G. Debenedetti, and A. Z. Panagiotopoulos, Phys. Rev. E 66, 011202 (2002). 10.1103/PhysRevE.66.011202
15. T. M. Truskett and K. A. Dill, J. Phys. Chem. B 106, 11829 (2002). 10.1021/jp021418h
16. P. Kumar, S. V. Buldyrev, F. Sciortino, E. Zaccarelli, and H. E. Stanley, Phys. Rev. E 72, 021501 (2005). 10.1103/PhysRevE.72.021501
17. R. Esposito, F. Saija, A. M. Saitta, and P. V. Giaquinta, Phys. Rev. E 73, 040502 (R) (2006). 10.1103/PhysRevE.73.040502
18. P. A. Netz, S. V. Buldyrev, M. C. Barbosa, and H. E. Stanley, Phys. Rev. E 73, 061504 (2006). 10.1103/PhysRevE.73.061504
19. L. Xu, S. V. Buldyrev, C. A. Angell, and H. E. Stanley, Phys. Rev. E 74, 031108 (2006). 10.1103/PhysRevE.74.031108
20. J. Mittal, J. R. Errington, and T. M. Truskett, J. Phys. Chem. B 110, 18147 (2006). 10.1021/jp064816j
21. J. R. Errington, T. M. Truskett, and J. Mittal, J. Chem. Phys. 125, 244502 (2006). 10.1063/1.2409932
22. R. Sharma, S. N. Chakraborty, and C. Chakravarty, J. Chem. Phys. 125, 204501 (2006). 10.1063/1.2390710
23. A. B. de Oliveira, M. C. Barbosa, and P. A. Netz, Physica A 386, 744 (2007). 10.1016/j.physa.2007.07.015
24. Z. Yan, S. V. Buldyrev, P. Kumar, N. Giovambattista, P. G. Debenedetti, and H. E. Stanley, Phys. Rev. E 76, 051201 (2007). 10.1103/PhysRevE.76.051201
25. M. M. Szortyka and M. C. Barbosa, Physica A 380, 27 (2007). 10.1016/j.physa.2007.02.069
26. A. B. de Oliveira, G. Franzese, P. A. Netz, and M. C. Barbosa, J. Chem. Phys. 128, 064901 (2008). 10.1063/1.2830706
27. W. P. Krekelberg, J. Mittal, V. Ganesan, and T. M. Truskett, Phys. Rev. E 77, 041201 (2008). 10.1103/PhysRevE.77.041201
28. Z. Yan, S. V. Buldyrev, and H. E. Stanley, Phys. Rev. E 78, 051201 (2008). 10.1103/PhysRevE.78.051201
29. W. P. Krekelberg, J. Mittal, V. Ganesan, and T. M. Truskett, J. Chem. Phys. 127, 044502 (2007). 10.1063/1.2753154
30. W. P. Krekelberg, T. Kumar, J. Mittal, J. R. Errington, and T. M. Truskett, Phys. Rev. E 79, 031203 (2009). 10.1103/PhysRevE.79.031203
31. M. J. Pond, W. P. Krekelberg, V. K. Shen, J. R. Errington, and T. M. Truskett, J. Chem. Phys. 131, 161101 (2009). 10.1063/1.3256235
32. A. Chaimovich and M. S. Shell, Phys. Chem. Chem. Phys. 11, 1901 (2009). 10.1039/b818512c
33. W. G. Hoover, Computational Statistical Mechanics (Elsevier, New York, 1991), pp. 172-173.
34. N. Gnan, T. B. Schrder, U. R. Pedersen, N. P. Bailey, and J. C. Dyre, e-print arXiv:0905.3497.
35. A. Lang, C. N. Likos, M. Watzlawek, and H. Lowen, J. Phys.: Condens. Matter 12, 5087 (2000). 10.1088/0953-8984/12/24/302
36. A. A. Louis, P. G. Bolhuis, and J. P. Hansen, Phys. Rev. E 62, 7961 (2000). 10.1103/PhysRevE.62.7961
37. C. N. Likos, Phys. Rep. 348, 267 (2001). 10.1016/S0370-1573(00)00141-1
38. P. Mausbach and H.-O. May, Z. Phys. Chem. 223, 1035 (2009). 10.1524/zpch.2009.6056
39. A. Samanta, Sk. Musharaf Ali, and S. K. Ghosh, Phys. Rev. Lett. 87, 245901 (2001). 10.1103/PhysRevLett.87.245901
40. The focus of the present paper is on molecular dynamics, where the particles obey Newton's equations of motion. In the Appendix, we illustrate how this analysis might be extended to treat the dissipative dynamics relevant for Brownian particles suspended in a solvent.
41. S. Chapman and T. G. Cowling, The Mathematical Theory of Nonuniform Gases, 3rd ed. (Cambridge University Press, 1970).
42. G. Jacucci and I. R. McDonald, Physica A 80, 607 (1975). 10.1016/0378-4371(75)90121-1
43. K. Tankeshwar and F. Ould-Kaddour, J. Phys.: Condens. Matter 4, 3349 (1992). 10.1088/0953-8984/4/13/002
44. S. K. Sharma and K. Tankeshwar, J. Phys.: Condens. Matter 8, 10839 (1996). 10.1088/0953-8984/8/50/010
45. K. Tankeshwar, B. Singla, and K. N. Pathak, J. Phys.: Condens. Matter 3, 3173 (1991). 10.1088/0953-8984/3/18/011
46. B. Widom and J. S. Rowlinson, J. Chem. Phys. 52, 1670 (1970). 10.1063/1.1673203
47. F. H. Stillinger and T. A. Weber, J. Chem. Phys. 68, 3837 (1978). 10.1063/1.436191
48. A. J. Archer and R. Evans, Phys. Rev. E 64, 041501 (2001). 10.1103/PhysRevE.64.041501
49. D. C. Rapaport, The Art of Molecular Dynamic Simulation, 2nd ed. (Cambridge University Press, Cambridge, 2004).
50. M. P. Allen and D. J. Tildesley, Computer Simulations of Liquids (Oxford University Press, New York, 1987).
51. V. K. Shen and J. R. Errington, J. Chem. Phys. 124, 024721 (2006). 10.1063/1.2159472
52. V. K. Shen and J. R. Errington, J. Chem. Phys. 122, 064508 (2005). 10.1063/1.1844372
53. T. Boublik, J. Chem. Phys. 53, 471 (1970). 10.1063/1.1673824
54. G. A. Mansoori, N. F. Carnahan, K. E. Starling, and T. W. Leland, J. Chem. Phys. 54, 1523 (1971). 10.1063/1.1675048
55. I. Biazzo, F. Caltagirone, G. Parisi, and F. Zamponi, Phys. Rev. Lett. 102, 195701 (2009). 10.1103/PhysRevLett.102.195701
56. S. Yerazunis, S. W. Cornell, and B. Wintner, Nature (London) 207, 835 (1965). 10.1038/207835a0
57. J. A. Hernando, Mol. Phys. 69, 319 (1990). 10.1080/00268979000100211
58. P. Mausbach and H. O. May, Fluid Phase Equilib. 249, 17 (2006). 10.1016/j.fluid.2006.07.021
59. H. Wensink, H. Löwen, M. Rex, C. Likos, and S. van Teeffelen, Comput. Phys. Commun. 179, 77 (2008). 10.1016/j.cpc.2008.01.009
60. J. J. Hoyt, M. Asta, and B. Sadigh, Phys. Rev. Lett. 85, 594 (2000). 10.1103/PhysRevLett.85.594
61. B. Cichocki and B. U. Felderhof, J. Chem. Phys. 93, 4427 (1990). 10.1063/1.459688
62. B. Cichocki and B. U. Felderhof, J. Chem. Phys. 89, 3705 (1988). 10.1063/1.454891
63. G. K. Batchelor, J. Fluid Mech. 131, 155 (1983). 10.1017/ S0022112083001275
64. G. K. Batchelor, J. Fluid Mech. 74, 1 (1976). 10.1017/S0022112076001663
65. D. J. Jeffrey and Y. Onishi, J. Fluid Mech. 139, 261 (1984). 10.1017/S0022112084000355