Nature of the anomalies in the supercooled liquid state of the mW model of water

Journal of Chemical Physics

Volumn 138, Issue 17, 2013, Pages

  Holten, Vincent ^a   Limmer, David T ^b   Molinero, Valeria ^c   Anisimov, Mikhail A ^a  

^a UNIVERSITY OF MARYLAND   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANOMALOUS BEHAVIOR; COUPLING CONSTANTS; DIRECT COMPUTATIONS; LIQUID-LIQUID PHASE SEPARATION; LIQUID-LIQUIDS; PHENOMENOLOGICAL EQUATIONS; SUPERCOOLED LIQUID STATE; WATER MOLECULE;

CRYOGENIC LIQUIDS; EQUATIONS OF STATE; MOLECULES; PHASE SEPARATION; SUPERCOOLING; THERMODYNAMIC PROPERTIES;

COMPUTER SIMULATION;

EID: 84877741684     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4802992     Document Type: Article

References (42)

1. C. A. Angell, M. Oguni, and W. J. Sichina, J. Phys. Chem. 86, 998 (1982). 10.1021/j100395a032
2. D. E. Hare and C. M. Sorensen, J. Chem. Phys. 87, 4840 (1987). 10.1063/1.453710
3. H. Kanno and C. A. Angell, J. Chem. Phys. 73, 1940 (1980). 10.1063/1.440331
4. H. Kanno and C. A. Angell, J. Chem. Phys. 70, 4008 (1979). 10.1063/1.438021
5. P. H. Poole, F. Sciortino, U. Essmann, and H. E. Stanley, Nature (London) 360, 324 (1992). 10.1038/360324a0
6. O. Mishima and H. E. Stanley, Nature (London) 396, 329 (1998). 10.1038/24540
7. H. E. Stanley, S. V. Buldyrev, M. Canpolat, O. Mishima, M. R. Sadr-Lahijany, A. Scala, and F. W. Starr, Phys. Chem. Chem. Phys. 2, 1551 (2000). 10.1039/b000058m
8. P. G. Debenedetti, J. Phys.: Condens. Matter 15, R1669 (2003). 10.1088/0953-8984/15/45/R01
9. K. Stokely, M. G. Mazza, H. E. Stanley, and G. Franzese, Proc. Natl. Acad. Sci. U.S.A. 107, 1301 (2010). 10.1073/pnas.0912756107
10. O. Mishima, Proc. Jpn. Acad., Ser. B: Phys. Biol. Sci. 86, 165 (2010). 10.2183/pjab.86.165
11. O. Mishima and H. E. Stanley, Nature (London) 392, 164 (1998). 10.1038/32386
12. O. Mishima, Phys. Rev. Lett. 85, 334 (2000). 10.1103/PhysRevLett.85.334
13. O. Mishima, J. Phys. Chem. B 115, 14064 (2011). 10.1021/jp203669p
14. K. Murata and H. Tanaka, Nature Mater. 11, 436 (2012). 10.1038/nmat3271
15. V. Holten and M. A. Anisimov, Sci. Rep. 2, 713 (2012). 10.1038/srep00713
16. P. G. Debenedetti, Metastable Liquids (Princeton University Press, Princeton, NJ, 1996).
17. H. Kanno, R. J. Speedy, and C. A. Angell, Science 189, 880 (1975). 10.1126/science.189.4206.880
18. V. Molinero and E. B. Moore, J. Phys. Chem. B 113, 4008 (2009). 10.1021/jp805227c
19. E. B. Moore and V. Molinero, Nature (London) 479, 506 (2011). 10.1038/nature10586
20. D. T. Limmer and D. Chandler, J. Chem. Phys. 135, 134503 (2011). 10.1063/1.3643333
21. C. E. Bertrand and M. A. Anisimov, J. Phys. Chem. B 115, 14099 (2011). 10.1021/jp204011z
22. D. Eisenberg and W. Kauzmann, The Structure and Properties of Water (Oxford University Press, New York, 1969), pp. 256-267.
23. E. B. Moore and V. Molinero, J. Chem. Phys. 130, 244505 (2009). 10.1063/1.3158470
24. Hydrothermal Properties of Materials: Experimental Data on Aqueous Phase Equilibria and Solution Properties at Elevated Temperatures and Pressures, edited by, V. Valyashko, (Wiley, Chichester, UK, 2008).
25. P. F. McMillan, J. Mater. Chem. 14, 1506 (2004). 10.1039/b401308p
26. M. C. Wilding, M. Wilson, and P. F. McMillan, Chem. Soc. Rev. 35, 964 (2006). 10.1039/b517775h
27. M. Vedamuthu, S. Singh, and G. W. Robinson, J. Phys. Chem. 98, 2222 (1994). 10.1021/j100060a002
28. H. Tanaka, Eur. Phys. J. E 35, 113 (2012). 10.1140/epje/i2012-12113-y
29. E. G. Ponyatovsky, V. V. Sinitsyn, and T. A. Pozdnyakova, J. Chem. Phys. 109, 2413 (1998). 10.1063/1.476809
30. C. T. Moynihan, Mater. Res. Soc. Symp. Proc. 455, 411 (1996). 10.1557/PROC-455-411
31. M. J. Cuthbertson and P. H. Poole, Phys. Rev. Lett. 106, 115706 (2011). 10.1103/PhysRevLett.106.115706
32. I. Prigogine and R. Defay, Chemical Thermodynamics (Longmans, Green Co., London, 1954).
33. H. E. Stanley and J. Teixeira, J. Chem. Phys. 73, 3404 (1980). 10.1063/1.440538
34. P. J. Flory, Principles of Polymer Chemistry (Cornell University Press, Ithaca, NY, 1953).
35. M. A. Floriano, Y. P. Handa, D. D. Klug, and E. Whalley, J. Chem. Phys. 91, 7187 (1989). 10.1063/1.457285
36. R. S. Smith, J. Matthiesen, J. Knox, and B. D. Kay, J. Phys. Chem. A 115, 5908 (2011). 10.1021/jp110297q
37. S. A. Brazovski, Sov. Phys. JETP 41, 85 (1975).
38. S. A. Brazovski, I. E. Dzyaloshinski, and A. R. Muratov, Sov. Phys. JETP 66, 625 (1987).
39. E. I. Kats, V. V. Lebedev, and A. R. Muratov, Phys. Rep. 228, 1 (1993). 10.1016/0370-1573(93)90119-X
40. For values of β in the given range, the sum of squared deviations of the model from the data varies by 5 or less.
41. D. T. Limmer and D. Chandler, J. Chem. Phys. 137, 044509 (2012). 10.1063/1.4737907
42. R. J. Speedy and C. A. Angell, J. Chem. Phys. 65, 851 (1976). 10.1063/1.433153