Water dynamics in silica nanopores: The self-intermediate scattering functions

Journal of Chemical Physics

Volumn 136, Issue 22, 2012, Pages

  Milischuk, Anatoli A ^a   Krewald, Vera ^a,b   Ladanyi, Branka M ^a  

^a Department of Environmental and Radiological Health Sciences   (United States)

^b MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

GRAND CANONICAL MONTE CARLO SIMULATION; MODEL SYSTEM; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR REORIENTATION; MOLECULAR SIMULATIONS; PORE DIAMETERS; Q-VALUES; QUASI ELASTIC NEUTRON SCATTERING; RADIAL DIRECTION; RELAXATION RATES; ROOM TEMPERATURE; ROTATION-TRANSLATION COUPLING; SCATTERING FUNCTIONS; SILICA SURFACE; TRANSLATIONAL DIFFUSION; TRANSLATIONAL MOTIONS; WATER DYNAMICS; WATER MOLECULE;

DYNAMICS; HYDROGEN; MOLECULAR DYNAMICS; MOLECULES; MONTE CARLO METHODS; SILICA;

NANOPORES;

EID: 84866947926     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4724101     Document Type: Article

References (49)

1. M. C. Bellissent-Funel, K. F. Bradley, S. H. Chen, J. Lal, and J. Teixeira, Physica A 201, 277 (1993). 10.1016/0378-4371(93)90423-2
2. M. C. Bellissent-Funel, J. Lal, and L. Bosio, J. Chem. Phys. 98, 4246 (1993). 10.1063/1.465031
3. J. M. Zanotti, M. C. Bellissent-Funel, and S. H. Chen, Phys. Rev. E 59, 3084 (1999). 10.1103/PhysRevE.59.3084
4. J. S. Beck, J. C. Vartuli, W. J. Roth, M. E. Leonowicz, C. T. Kresge, K. D. Schmitt, C. T. W. Chu, D. H. Olson, E. W. Sheppard, S. B. McCullen, J. B. Higgins, and J. L. Schlenker, J. Am. Chem. Soc. 114, 10834 (1992). 10.1021/ja00053a020
5. S. Takahara, M. Nakano, S. Kittaka, Y. Kuroda, T. Mori, H. Hamano, and T. Yamaguchi, J. Phys. Chem. B 103, 5814 (1999). 10.1021/jp984136j
6. S. Takahara, N. Sumiyama, S. Kittaka, T. Yamaguchi, and M. C. Bellissent-Funel, J. Phys. Chem. B 109, 11231 (2005). 10.1021/jp046036l
7. A. Faraone, L. Liu, C. Y. Mou, P. C. Shih, J. R. D. Copley, and S. H. Chen, J. Chem. Phys. 119, 3963 (2003). 10.1063/1.1584653
8. F. Mansour, R. M. Dimeo, and H. Peemoeller, Phys. Rev. E 66, 041307 (2002). 10.1103/PhysRevE.66.041307
9. M. Bée, Quasielastic Neutron Scattering (Hilger, Bristol, 1988).
10. M. C. Bellissent-Funel, S. H. Chen, and J. M. Zanotti, Phys. Rev. E 51, 4558 (1995). 10.1103/PhysRevE.51.4558
11. V. Crupi, D. Majolino, P. Migliardo, and V. Venuti, J. Phys. Chem. B 106, 10884 (2002). 10.1021/jp020503m
12. L. Liu, A. Faraone, C. Mou, C. W. Yen, and S. H. Chen, J. Phys.: Condens. Matter 16, S5403 (2004). 10.1088/0953-8984/16/45/007
13. A. Faraone, K. H. Liu, C. Y. Mou, Y. Zhang, and S. H. Chen, J. Chem. Phys. 130, 134512 (2009). 10.1063/1.3097800
14. V. Crupi, D. Majolino, P. Migliardo, and V. Venuti, J. Phys. Chem. A 104, 11000 (2000). 10.1021/jp001736l
15. V. Crupi, A. J. Dianoux, D. Majolino, P. Migliardo, and V. Venuti, Phys. Chem. Chem. Phys. 4, 2768 (2002). 10.1039/b200115m
16. D. Di Cola, A. Deriu, M. Sampoli, and A. Torcini, J. Chem. Phys. 104, 4223 (1996). 10.1063/1.471233
17. J. Jelassi, T. Grosz, I. Bako, M. C. Bellissent-Funel, J. C. Dore, H. L. Castricum, and R. Sridi-Dorbez, J. Chem. Phys. 134, 064509 (2011). 10.1063/1.3530584
18. E. Spohr, C. Hartnig, P. Gallo, and M. Rovere, J. Mol. Liq. 80, 165 (1999). 10.1016/S0167-7322(99)80006-3
19. P. Gallo, Phys. Chem. Chem. Phys. 2, 1607 (2000). 10.1039/a909268d
20. P. Gallo, M. Rovere, M. A. Ricci, C. Hartnig, and E. Spohr, Europhys. Lett. 49, 183 (2000). 10.1209/epl/i2000-00132-1
21. P. Gallo, M. Rovere, and E. Spohr, J. Chem. Phys. 113, 11324 (2000). 10.1063/1.1328073
22. P. Gallo and M. Rovere, J. Phys.: Condens. Matter 15, 1521 (2003). 10.1088/0953-8984/15/10/302
23. P. Gallo, M. Rovere, and S. H. Chen, J. Phys.: Condens. Matter 22, 284102 (2010). 10.1088/0953-8984/22/28/284102
24. P. Gallo, M. Rovere, and S. H. Chen, J. Phys. Chem. Lett. 1, 729 (2010). 10.1021/jz9003125
25. C. Hartnig, W. Witschel, E. Spohr, P. Gallo, A. Ricci, and M. Rovere, J. Mol. Liq. 85, 127 (2000). 10.1016/S0167-7322(99)00169-5
26. S. W. Lovesey, Theory of Neutron Scattering from Condensed Matter (Oxford University Press, 1984), Vol. 2.
27. L. Liu, A. Faraone, and S. H. Chen, Phys. Rev. E 65, 041506 (2002). 10.1103/PhysRevE.65.041506
28. V. F. Sears, Can. J. Phys. 45, 237 (1967). 10.1139/p67-025
29. D. Laage, J. Phys. Chem. B 113, 2684 (2009). 10.1021/jp900307n
30. A. A. Milischuk and B. M. Ladanyi, J. Chem. Phys. 135, 174709 (2011). 10.1063/1.3657408
31. T. S. Gulmen and W. H. Thompson, MRS Proc. 899, 0899 (2005). 10.1557/PROC-0899-N06-05
32. M. G. Martin, B. Chen, C. D. Wick, J. J. Potoff, J. M. Stubbs, and J. I. Siepmann, MCCCS Towhee, Version 6.2.11, 2010, see http://towhee.sourceforge.net.
33. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 (1987). 10.1021/j100308a038
34. A. Bródka and T. W. Zerda, J. Chem. Phys. 95, 3710 (1991). 10.1063/1.461778
35. T. S. Gulmen and W. H. Thompson, Langmuir 25, 1103 (2009). 10.1021/la801896g
36. A. Bródka, Mol. Phys. 82, 1075 (1994). 10.1080/00268979400100764
37. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1987).
38. M. R. Harpham, B. M. Ladanyi, N. E. Levinger, and K. W. Herwig, J. Chem. Phys. 121, 7855 (2004). 10.1063/1.1792592
39. M. R. Harpham, B. M. Ladanyi, and N. E. Levinger, J. Phys. Chem. B 109, 16891 (2005). 10.1021/jp052773l
40. M. R. Harpham, N. E. Levinger, and B. M. Ladanyi, J. Phys. Chem. B 112, 283 (2008). 10.1021/jp074985j
41. A. J. Dianoux and F. Volino, Mol. Phys. 34, 1263 (1977). 10.1080/00268977700102531
42. R. M. Lynden-Bell and W. A. Steele, J. Phys. Chem. 88, 6514 (1984). 10.1021/j150670a013
43. J. Chowdhary and B. M. Ladanyi, J. Phys. Chem. A 115, 6306 (2011). 10.1021/jp201866t
44. A. J. Dianoux, M. Pineri, and F. Volino, Mol. Phys. 46, 129 (1982). 10.1080/00268978200101121
45. S. H. Chen, P. Gallo, F. Sciortino, and P. Tartaglia, Phys. Rev. E 56, 4231 (1997). 10.1103/PhysRevE.56.4231
46. D. Laage and W. H. Thompson, J. Chem. Phys. 136, 044513 (2012). 10.1063/1.3679404
47. T. S. Gulmen and W. H. Thompson, Langmuir 22, 10919 (2006). 10.1021/la062285k
48. G. Liu, Y. Li, and J. Jonas, J. Chem. Phys. 95, 6892 (1991). 10.1063/1.461501
49. J. P. Korb, A. Delville, S. Xu, G. Demeulenaere, P. Costa, and J. Jonas, J. Chem. Phys. 101, 7074 (1994). 10.1063/1.468333