Waterlike structural and excess entropy anomalies in liquid beryllium fluoride

Journal of Physical Chemistry B

Volumn 111, Issue 46, 2007, Pages 13294-13300

  Agarwal, Manish ^a   Chakravarty, Charusita ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY DELHI   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ENTROPY; FLUORIDE MINERALS; SILICA; THERMODYNAMICS;

BERYLLIUM FLUORIDE; ENTROPY ANOMALY; NEGATIVE CORRELATION; TRANSFERABLE RIGID ION MODELS;

BERYLLIUM COMPOUNDS;

EID: 37149051453     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0753272     Document Type: Article

References (64)

1. Mishima, O.; Stanley, H. E. Nature 1998, 396, 329.
2. Debenedetti, P. G. J. Phys.: Condens. Matter 2003, 15, R1669.
3. Errington, J. R.; Debenedetti, P. G. Nature 2001, 409, 318.
4. Madden, P. A.; Wilson, M. J. Phys.: Condens. Matter 2000, 12, A95.
5. Scala, A.; Starr, F. W.; La Nave, E.; Sciortino, F.; Stanley, H. E. Nature 2000, 406, 166.
6. Saika-Voivod, I.; Poole, P. H.; Sciortino, F. Nature 2001, 412, 514.
7. Shell, M. S.; Debenedetti, P. G.; Panagiotopoulos, A. Z. Phys. Rev. E. 2002, 66, 011202.
8. Poole, P. H.; Hemmati, M.; Angell, C. A. Phys. Rev. Lett. 1997, 79, 2281.
9. Saika-Voivod, I.; Sciortino, F.; Poole, P. H. Phys. Rev. E 2000, 63, 011202.
10. Micoulaut, M.; Cormier, L.; Henderson, G. S. J. Phys.: Condens. Matter 2006, 18, R753.
11. Angell, C. A.; Bressel, R. D.; Hemmati, M.; Sare, E. J.; Tucker, J. C. Phys. Chem. Chem. Phys. 2000, 2, 1559.
12. Tanaka, H. Phys. Rev. B 2002, 66, 064202.
13. Jagla, E. A. J. Chem. Phys. 1999, 111, 8980.
14. Jagla, E. A. Phys. Rev. E 2001, 63, 061509.
15. Yan, Z.; Buldyrev, S. V.; Giovambattista, N.; Stanley, H. E. Phys. Rev. Lett. 2005, 95, 130604.
16. Kumar, P.; Buldyrev, S. V.; Sciortino, F.; Zaccarelli, E.; Stanley, H. E. Phys. Rev. E 2005, 72, 021501.
17. Yan, Z.; Buldyrev, S. V.; Giovambattista, N.; Debenedetti, P. G.; Stanley, H. E. Phys. Rev. E 2006, 73, 051204.
18. de Oliveira, A. B.; Netz, P. A.; Colla, T.; Barbosa, M. C. J. Chem. Phys. 2006, 124, 084505.
19. Wilding, N. B.; Magee, J. E. Phys. Rev. E 2002, 66, 031509.
20. Gibson, H. M.; Wilding, N. B. Phys. Rev. E 2006, 73, 061507.
21. Likos, C. N.; Hoffmann, N.; Löwen, H.; Louis, A. A. J Phys.: Condens. Matter 2002, 14, 7681.
22. Sastry, S.; Debenedetti, P. G.; Sciortino, F.; Stanley, H. E. Phys. Rev. E 1996, 53, 6144.
23. Rebelo, L. P. N.; Debenedetti, P. G.; Sastry, S. J. Chem. Phys. 1998, 109, 626.
24. Hoyt, J. J.; Asta, M.; Sadigh, B. Phys. Rev. Lett. 2000, 85, 594.
25. Rosenfeld, Y. Phys. Rev. A 1977, 15, 2545;
26. Chem. Phys. Lett. 1977, 48, 467.
27. Rosenfeld, Y. J. Phys.: Condens. Matter 1999, 11, 5415.
28. Rosenfeld, Y. Phys. Rev. E 2000, 75, 7524.
29. Dzugutov, M. Nature 1996, 381, 137.
30. Sharma, R.; Chakraborty, S. N.; Chakravarty, C. J. Chem. Phys. 2006, 125, 204502.
31. Mittal, J.; Errington, J. R.; Truskett, T. M. J. Chem. Phys. 2006, 125, 076102.
32. Mittal, J.; Errington, J. R.; Truskett, T. M. J. Phys. Chem. B 2006, 110, 18147.
33. Errington, J. R.; Truskett, T. M.; Mittal, J. J. Chem. Phys. 2006, 125, 244502.
34. Mudi, A.; Chakravarty, C. J. Phys. Chem. B 2004, 108, 19607;
35. 2006, 110, 4502.
36. Mudi, A.; Chakravarty, C.; Ramaswamy, R. J. Chem. Phys. 2005, 122, 104507;
37. 2006, 124, 069902.
38. Mudi, A.; Chakravarty, C J. Phys. Chem. B 2006, 110, 8422.
39. Mudi, A.; Chakravarty, C.; Milotti, E. J. Chem. Phys. 2006, 125, 074508.
40. Sharma, R.; Mudi, A.; C. Chakravarty J. Chem. Phys. 2006, 125, 044705.
41. Johnson, M. E.; Head-Gordon, T.; Louis, A. A. J. Chem. Phys. 2007, 126, 144509.
42. Louis, A. A. J. Phys.: Condens. Matter 2002, 14, 9187.
43. Truskett, T. M.; Torquato, S.; Debendetti, P. G. Phys. Rev. E 2000, 62, 993.
44. Greenwood, N. N.; Earnshaw, A. Chemistry of the Elements; Butterworth-Heinemann: Oxford, 1984.
45. Woodcock, L. V.; Angell, C. A.; Cheeseman, P. J. Chem. Phys. 1976, 65, 1565.
46. Hemmati, M.; Moyinihan, C. T.; Angell, C. A. J. Chem. Phys. 2001, 115, 6663.
47. Hemmati, M.; Angell, C. A. J. Non-Cryst. Solids 1997, 217, 236.
48. Busing, W. R. J. Chem. Phys. 1972, 57, 3008.
49. van der Meer, J. P. M.; Konings, R. J. M. J. Nucl. Mater. 2007, 360, 16.
50. Heaton, R. J.; Brookes, R.; Madden, P. A.; Salanne, M.; Simon, C.; Turq, P. J. Phys. Chem. B 2006, 110, 11454.
51. Salanne, M.; Simon, C.; Turq, P.; Heaton, R. J.; Madden, P. A. J. Phys. Chem. B 2006, 110, 11461.
52. Tosi, M. P.; Fumi, F. G. J. Phys. Chem. Solids 1964, 25, 45.
53. Tosi, M. P.; Price, D. L.; Saboungi, M.-L. Ann. Rev. Phys. Chem. 1993, 44, 173.
54. Agarwal, M.; Sharma, R.; Chakravarty, C. J. Chem. Phys. 2007, in press.
55. Hemley, R. J.; Mao, H. K.; Shen, G. Y.; Badro, J.; Gillet, P.; Hanfland, M.; Hausermann, D. Science 1997, 276, 1242.
56. Ahart, M.; Yarger, J. L.; Lantzky, K. M.; Nakano, S.; Mao, H. K.; Hemley, R. J. J. Chem. Phys. 2006, 124, 014502.
57. Smith, W.; Forester, T. R. J. Mol. Graphics 1996, 14, 136.
58. Smith, W.; Yong, C. W.; Rodger, P. M. Mol. Simul. 2002, 28, 385; http://www.cse.clrc.ac.uk/msi/software/DL_POLY/.
59. Allen, M. D.; Tildesley, D. J. Computer Simulation of Liquids; Clarendon Press: Oxford, 1986.
60. Frenkel, D.; Smit, B. Understanding Molecular Simulation: From Algorithms to Applications; Academic Press: London, 2002.
61. Baranyai, A.; Evans, D. J. Phys. Rev. A 1989, 40, 3817.
62. Chakraborty, S. N.; Chakravarty, C. Phys. Rev. E 2007, 76, 011201.
63. Laird, B. B.; Haymet, A. D. J. J. Chem. Phys. 1992, 97, 2153.
64. Mudi, A. M., Ph.D. Thesis, Indian Institute of Technology Delhi.