Heterogeneity of the local structure in sub- and supercritical ammonia: A oronoi polyhedra analysis

Journal of Physical Chemistry B

Volumn 115, Issue 31, 2011, Pages 9646-9652

  Idrissi, A ^a,e   Vyalov, I ^a,b   Kiselev, M ^b   Fedorov, M V ^c   Jedlovszky, P ^d,e,f  

^a UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

^b INSTITUTE OF SOLUTION CHEMISTRY   (Russian Federation)

^c MAX PLANCK INSTITUTE FOR MATHEMATICS IN THE SCIENCES   (Germany)

^d EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^e INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

^f EKF Department of Chemistry   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; MOLECULAR DYNAMICS; THERMAL EXPANSION; TOPOLOGY;

AMMONIA MOLECULES; FACE AREA; HETEROGENEOUS DISTRIBUTIONS; LOCAL DENSITY; LOCAL STRUCTURE; MEAN VALUES; MOLECULAR DYNAMICS SIMULATIONS; RATE OF INCREASE; SUPERCRITICAL AMMONIA; THERMAL EXPANSION COEFFICIENTS; TOPOLOGICAL PROPERTIES; VORONOI;

GEOMETRY;

EID: 79961220479     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp204078u     Document Type: Article

References (58)

1. Musso, M.; Matthai, F.; Keutel, D.; Oehme, K.-L. Pure Appl. Chem. 2004, 76, 147
2. Tucker, S. C. Chem. Rev. 1999, 99, 391
3. Rovere, M.; Heermann, D. W.; Binder, K. J. Phys.: Condens. Matter 1990, 2, 7009
4. Okabe, A.; Boots, B.; Sugihara, K.; Chiu, S. N. Spatial Tessellations Concepts and Applications of Voronoi Diagrams; John Wiley &Sons, Ltd.: New York, 2000.
5. Finney, J. L. Nature 1977, 266, 309
6. Finney, J. L. Proc. R. Soc. London 1970, 319, 479
7. Oger, L.; Gervois, A.; Troadec, J. P.; Rivier, N. Philos. Mag. B 1996, 74, 177
8. Lavrik, N.; Voloshin, V. P. J. Chem. Phys. 2001, 114, 9489
9. Sastry, S.; Truskett, T. M.; Debenedetti, P. G.; Torquato, S.; Stillinger, F. H. Mol. Phys. 1998, 95, 289
10. Yang, R. Y.; Zou, R. P.; Yu, A. B. Phys. Rev. E 2002, 65, 041302
11. Richard, P.; Oger, L.; Troadec, J. P.; Gervois, A. Physica A 1998, 259, 205
12. Ruff, I.; Baranyai, A.; Palinkas, G.; Heinzinger, K. J. Chem. Phys. 1986, 85, 2169
13. Montoro, J.; Gil, C.; Abascal, J. L. F. J. Phys. Chem. 1993, 97, 4211
14. Voloshin, V. P.; Naberukhin, Y. I.; Medvedev, N. N.; Jhon, M. S. J. Chem. Phys. 1995, 102, 4981
15. Voloshin, V. P.; Beaufils, S.; Medvedev, N. N. J. Mol. Liq. 2002, 96-97, 101
16. Yang, R. Y.; Zou, R. P.; Dong, K. J.; An, X. Z.; Yu, A. Comput. Phys. Commun. 2007, 177, 206
17. Baranyai, A.; Ruff, I. J. Chem. Phys. 1986, 85, 365
18. Pusztai, L. J. Phys. C: Solid State Phys. 1988, 21, 3687
19. Montoro, J.; Gil, C.; Bresme, F.; Abascal, J. L. F. J. Chem. Phys. 1994, 101, 10892
20. Luchnikov, V. A.; Medvedev, N. N.; Appelhagen, A.; Geiger, A. Mol. Phys. 1996, 88, 1337
21. Brostow, W.; Chybicki, M.; Laskowski, R.; Rybicki, J. Phys. Rev. B 1998, 57, 13448
22. Hoare, M. R. J. Non-Cryst. Solids 1978, 31
23. Aparicio, N. D.; Cocks, A. C. F. Acta. Metall. Mater. 1995, 43
24. Maruyama, K.; Endo, H.; Hoshino, H.; Hensel, F. Phys. Rev. B 2009, 80, 014201
25. Hoyer, W.; Kleinhempel, R.; Lorinszi, A.; Pohlers, A.; Sava, F. J. Phys.: Condens. Matter 2005, 17, S31
26. Starr, F. W.; Sastry, S.; Douglas, J. F.; Glotzer, S. C. Phys. Rev. Lett. 2002, 89, 125501
27. Ruocco, G.; Sampoli, M.; Vallauri, R. J. Chem. Phys. 1992, 96, 6167
28. Ruocco, G.; Sampoli, M.; Torcini, A.; Vallauri, R. J. Chem. Phys. 1993, 99, 8095
29. Shih, J.-P.; Sheu, S.-Y.; Mou, C.-Y. J. Chem. Phys. 1994, 100, 2202
30. Jedlovszky, P. J. Chem. Phys. 2000, 113, 9113
31. Yeh, Y.; Mou, C.-Y. J. Phys. Chem. B 1999, 103, 3699
32. Mountain, R. D. J. Chem. Phys. 1999, 110, 2109
33. Jedlovszky, P.; Partay, L. B.; Bartok, A. P.; Voloshin, V. P.; Medvedev, N. N.; Garberoglio, G.; Vallauri, R. J. Chem. Phys. 2008, 128, 244503
34. Etzler, F. M.; Ross, R. F.; Halcomb, R. A. Physica A 1991, 172
35. Rapaport, D. C. Mol. Phys. 1983, 48, 23
36. Soyer, A.; Chomilier, J.; Mornon, J.-P.; Jullien, R.; Sadoc, J.-F. Phys. Rev. Lett. 2000, 85, 3532
37. Jedlovszky, P. J. Chem. Phys. 1999, 111, 5975
38. Okabe, I.; Tanaka, H.; Nakanishi, K. Phys. Rev. E 1996, 53, 2638
39. Tokita, N.; Hirabayashi, M.; Azuma, C.; Dotera, T. J. Chem. Phys. 2004, 120, 496
40. Sega, M.; Jedlovszky, P.; Medvedev, N. N.; Vallauri, R. J. Chem. Phys. 2004, 121, 2422
41. Alinchenko, M. G.; Voloshin, V. P.; Medvedev, N. N.; Mezei, M.; Pártay, L.; Jedlovszky, P. J. Phys. Chem. B 2005, 109, 16490
42. Schenker, I.; Filser, F. T.; Gauckler, L. J.; Aste, T.; Herrmann, H. J. Phys. Rev. E 2009, 80, 021302
43. Varadan, P.; Solomon, M. J. J. Rheol. 2003, 47
44. van de Weygaert, R.; Icke, V. Astron. Astrophys. 1989, 213, 1
45. Ahnelt, P. K.; Fernández, E.; Martinez, O.; Bolea, J. A.; Kübber-Heiss, A. J. Opt. Soc. Am. A 2000, 17, 580
46. Karch, R.; Neumann, F.; Neumann, M.; Szawlowski, P.; Schreiner, W. Ann. Biomed. Eng. 2003, 31, 548
47. Tsai, J.; Gerstein, M. Bioinformatics 2002, 18, 985
48. Kristof, T.; Vorholz, J.; Liszi, J.; Rumpf, B.; Maurer, G. Mol. Phys. 1999, 97, 1129
49. Vyalov, I.; Kiselev, M.; Tassaing, T.; Soetens, J. C.; Idrissi, A. J. Phys. Chem. B 2010, 114, 15003
50. Bone, R. G. A.; Handy, N. C. Theor. Chim. Acta 1990, 78, 133
51. O'Reilly, D. E.; Peterson, E. M.; Scheie, C. E. J. Chem. Phys. 1973, 58, 4072
52. Tsuzuki, S.; Uchimaru, T.; Tanabe, K.; Kuwajima, S.; Tajima, N. J. Phys. Chem. 1996, 100, 4400
53. Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684
54. Anderson, H. C. J. Comput. Phys. 1983, 52, 24
55. Zaninetti, L. Phys. Lett. A 1992, 165, 143
56. Xu, T.; Li, M. Philos. Mag. 2009, 89, 349
57. Dong, K. J. EPL 2009, 86, 46003
58. Jullien, R. Phys. Rev. E 1996, 54, 6035