Are polar liquids less simple

Journal of Chemical Physics

Volumn 138, Issue 12, 2013, Pages

  Fragiadakis, D ^a   Roland, C M ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EQUILIBRIUM FLUCTUATION; HYDROGEN-BONDED LIQUIDS; INTERMOLECULAR POTENTIALS; ISOCHORIC CONDITIONS; MOLECULAR DYNAMICS SIMULATIONS; RELAXATION FUNCTIONS; STRONG CORRELATION; THERMODYNAMIC CONDITIONS;

HYDROGEN BONDS; LIQUIDS; MOLECULAR DYNAMICS; VAN DER WAALS FORCES;

DENSITY OF LIQUIDS;

EID: 84875791525     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4769262     Document Type: Article

References (49)

1. J. P. Hansen and J. R. McDonald, Theory of Simple Liquids, 3rd ed. (Academic, New York, 2005)
2. T. S. Ingebrigtsen, T. B. Schroder, and J. C. Dyre, Phys. Rev. X 2, 011011 (2012). 10.1103/PhysRevX.2.011011
3. W. G. Hoover and M. Ross, Contemp. Phys. 12, 339 (1971). 10.1080/00107517108205268
4. N. P. Bailey, U. R. Pedersen, N. Gnan, T. B. Schroder, and J. C. Dyre, J. Chem. Phys. 131, 234504 (2009). 10.1063/1.3265957
5. U. R. Pedersen, N. Gnan, N. P. Bailey, T. B. Schroder, and J. C. Dyre, J. Non-Cryst. Sol. 357, 320 (2011). 10.1016/j.jnoncrysol.2010.06.063
6. C. M. Roland, R. Casalini, R. Bergman, and J. Mattsson, Phys. Rev. B 77, 012201 (2008). 10.1103/PhysRevB.77.012201
7. M. Naoki and S. Katahira, J. Phys. Chem. 95, 431 (1991). 10.1021/j100154a076
8. H. G. E. Hentschel and I. Procaccia, Phys. Rev. E 77, 031507 (2008). 10.1103/PhysRevE.77.031507
9. C. M. Roland, S. Bair, and R. Casalini, J. Chem. Phys. 125, 124508 (2006). 10.1063/1.2346679
10. R. Casalini and C. M. Roland, J. Chem. Phys. 119, 11951 (2003). 10.1063/1.1624401
11. J. D. Eaves, J. J. Loparo, C. J. Fecko, S. T. Roberts, A. Tokmakoff, and P. L. Geissler, Proc. Natl. Acad. Sci. U.S.A. 102, 13019 (2005). 10.1073/pnas.0505125102
12. D. Laage and J. T. Hynes, Science 311, 832 (2006). 10.1126/science. 1122154
13. J. Jonas, T. DeFries, and D. J. Wilbur, J. Chem. Phys. 65, 582 (1976). 10.1063/1.433113
14. D. J. Wilbur, T. DeFries, and J. Jonas, J. Chem. Phys. 65, 1783 (1976). 10.1063/1.433324
15. R. L. Cook, H. E. King, and D. G. Peiffer, Phys. Rev. Lett. 69, 3072 (1992). 10.1103/PhysRevLett.69.3072
16. E. M. Schulman, D. W. Dwyer, and D. C. Doetschman, J. Phys. Chem. 94, 7308 (1990). 10.1021/j100381a064
17. A. Arencibia, M. Taravillo, F. J. Perez, J. Nunez, and V. G. Baonza, Phys. Rev. Lett. 89, 195504 (2002). 10.1103/PhysRevLett.89.195504
18. R. F. Marzke, D. P. Raffaelle, K. E. Halvorson, and G. H. Wolf, J. Non-Cryst. Solids 172-174, 401 (1994). 10.1016/0022-3093(94)90464-2
19. T. Okuchi, G. D. Cody, H.-K. Mao, and R. J. Hemley, J. Chem. Phys. 122, 244509 (2005). 10.1063/1.1944732
20. C. Czeslik and J. Jonas, Chem. Phys. Lett. 302, 633 (1999). 10.1016/S0009-2614(99)00170-0
21. L. J. Root and B. J. Berne, J. Chem. Phys. 107, 4351 (1997). 10.1063/1.474776
22. S. L. Wallen, B. J. Palmer, B. C. Garrett, and C. R. Yonker, J. Phys. Chem. 100, 3959 (1996). 10.1021/jp9524082
23. T. Ebukuro, A. Takami, Y. Oshima, and S. Koda, J. Supercrit. Fluids 15, 73 (1999). 10.1016/S0896-8446(98)00126-0
24. W. L. Jorgensen and M. Ibrahim, J. Am. Chem. Soc. 104, 373 (1982). 10.1021/ja00366a001
25. C. M. Roland, S. Hensel-Bielowka, M. Paluch, and R. Casalini, Rep. Prog. Phys. 68, 1405 (2005). 10.1088/0034-4885/68/6/R03
26. C. M. Roland, Macromolecules 43, 7875 (2010). 10.1021/ma101649u
27. W. F. van Gunsteren, S. R. Billeter, A. A. Eising, P. H. Hünenberger, P. Krüger, A. E. Mark, W. R. P. Scott, and I. G. Tironi, Biomolecular Simulation: The GROMOS96 Manual and User Guide (Hochschul-Verlag AG an der ETH Zürich, Zürich, 1996)
28. N. P. Bailey, U. R. Pedersen, N. Gnan, T. B. Schroder, and J. C. Dyre, J. Chem. Phys. 129, 184507 (2008). 10.1063/1.2982247
29. J. J. Papini, T. B. Schroder, and J. C. Dyre, e-print arXiv:1103.4954v2 (2011)
30. E. Guardia, G. Sese, and J. A. Padro, J. Mol. Liq. 62, 1 (1994). 10.1016/0167-7322(94)00731-4
31. R. Palomar and G. Sese, J. Phys. Chem. B 109, 499 (2005). 10.1021/jp047025v
32. B. Hess, C. Kutzner, D. van der Spoel, and E. Lindahl, J. Chem. Theory Comput. 4, 435 (2008). 10.1021/ct700301q
33. H. J. C. Berendsen, D. van der Spoel, and R. van Drunen, Comput. Phys. Commun. 91, 43 (1995). 10.1016/0010-4655(95)00042-E
34. E. Lindahl, B. Hess, and D. van der Spoel, J. Mol. Model. 7, 306 (2001). 10.1007/s008940100045
35. B. Hess, J. Chem. Theory Comput. 4, 116 (2008). 10.1021/ct700200b
36. U. Essmann, L. Perela, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen, J. Chem. Phys. 103, 8577 (1995). 10.1063/1.470117
37. S. A. Nosé, Mol. Phys. 52, 255 (1984); 10.1080/00268978400101201
38. W. G. Hoover, Phys. Rev. A 31, 1695 (1985). 10.1103/PhysRevA.31.1695
39. M. Parrinello and A. Rahman, J. Appl. Phys. 52, 7182 (1981). 10.1063/1.328693
40. S. Nosé and M. L. Klein, Mol. Phys. 50, 1055 (1983). 10.1080/00268978300102851
41. M. Haughney, M. Ferrario, and I. R. McDonald, J. Phys. Chem. 91, 4934 (1987). 10.1021/j100303a011
42. M. A. González, E. Enciso, F. J. Bermejo, and M. Bée, J. Chem. Phys. 110, 8045 (1999). 10.1063/1.478706
43. D. Gundermann, U. R. Pedersen, T. Hecksher, N. Bailey, B. Jakobsen, T. Christensen, N. B. Olsen, T. B. Schroder, D. Fragiadakis, R. Casalini, C. M. Roland, J. P. Dyre, and K. Niss, Nat. Phys. 7, 816 (2011). 10.1038/nphys2031
44. E. R. Lopez, A. S. Pensado, M. J. P. Comunas, A. A. H. Padua, J. Fernandez, and K. R. Harris, J. Chem. Phys. 134, 144507 (2011). 10.1063/1.3575184
45. D. Fragiadakis and C. M. Roland, J. Chem. Phys. 134, 044504 (2011). 10.1063/1.3532545
46. D. Coslovich and C. M. Roland, J. Phys. Chem. B 112, 1329 (2008). 10.1021/jp710457e
47. D. Fragiadakis and C. M. Roland, Phys. Rev. E 83, 031504 (2011). 10.1103/PhysRevE.83.031504
48. C. M. Roland, R. Casalini, and M. Paluch, Chem. Phys. Lett. 367, 259 (2003). 10.1016/S0009-2614(02)01655-X
49. K. L. Ngai, R. Casalini, S. Capaccioli, M. Paluch, and C. M. Roland, J. Phys. Chem. B 109, 17356 (2005). 10.1021/jp053439s