Molecular dynamics simulations of monofunctionalized polyhedral oligomeric silsesquioxane C6H13(H7Si8O 12)

Journal of Physical Chemistry C

Volumn 112, Issue 10, 2008, Pages 3473-3481

  Zhou, Jinhua ^a   Kieffer, John ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMERICAN CHEMICAL SOCIETY (ACS); AMPHIPHILIC(AP); BI-LAYERED STRUCTURE; BUILDING BLOCKS; CRYSTAL PHASE; DYNAMIC PROPERTIES; FUNCTIONALIZED; GLASS FORMATION; INTERACTION POTENTIALS; IONIC INTERACTIONS; MELTING BEHAVIORS; MELTING TEMPERATURE (TM); MOLECULAR DYNAMICS SIMULATIONS (MDS); MOLECULAR-DYNAMICS (MD) SIMULATIONS; ORGANIC LAYERS; POLYHEDRAL OLIGOMERIC SILSESQUIOXANE (POSS); POLYHEDRAL OLIGOMERIC SILSESQUIOXANES (POSS); STRUCTURAL CHARACTERISTICS; STRUCTURAL REORGANIZATION; SUBSEQUENT COOLING;

ARSENIC COMPOUNDS; CHARGE TRANSFER; COVALENT BONDS; CRYSTAL STRUCTURE; CRYSTALLINE MATERIALS; FLOW INTERACTIONS; GLASS; HYDROCARBONS; ION EXCHANGE; MELTING; MELTING POINT; MOLECULAR DYNAMICS; NANOSTRUCTURED MATERIALS; ORGANIC COATINGS; ORGANIC COMPOUNDS; QUANTUM CHEMISTRY;

DYNAMICS;

EID: 47249153545     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp0752217     Document Type: Article

References (50)

1. Lichtenhan, J. D.; Schwab, J. J.; Reinerth, W. A. Chem. Innovation 2001, 31, 3.
2. Sanchez, C.; Soler-Illia, G.; Ribot, F.; Lalot, T.; Mayer, C. R.; Cabuil, V. Chem. Mater. 2001, 13, 3061.
3. Sellinger, A.; Laine, R. M. Macromolecules 1996, 29, 2327.
4. Morrison, J. J.; Love, C. J.; Manson, B. W.; Shannon, I. J.; Morris, R. E. J. Mater. Chem. 2002, 12, 3208.
5. Lichtenhan, J. D.; Otonari, Y. A.; Carr, M. J. Macromolecules 1995, 28, 8435.
6. Haddad, T. S.; Lichtenhan, J. D. Macromolecules 1996, 29, 7302.
7. Lichtenhan, J. D. Comments Inorg. Chem. 1995, 17, 115.
8. Schwab, J. J.; Lichtenhan, J. D. Appl. Organomet. Chem. 1998, 12, 707.
9. Laine, R. M.; Zhang, C. X.; Sellinger, A.; Viculis, L. Appl. Organomet. Chem. 1998, 12, 715.
10. Li, G. Z.; Wang, L. C.; Ni, H. L.; Pittman, C. U. J. Inorg. Organomet. Polym. 2001, 11, 123.
11. Xu, H. Y.; Kuo, S. W.; Lee, J. S.; Chang, F. C. Macromolecules 2002, 35, 8788.
12. Fu, B. X.; Namani, M.; Lee, A. Polymer 2003, 44, 7739.
13. Constable, G. S.; Lesser, A. J.; Coughlin, E. B. Macromolecules 2004, 37, 1276.
14. Zhu, B. Z.; Katsoulis, D. E.; Keryk, J. R.; McGarry, F. J. Macromolecules 2004, 37, 1455.
15. Liu, H. Z.; Zheng, S. X.; Nie, K. M. Macromolecules 2005, 38, 5088.
16. Zhang, C. X.; Babonneau, F.; Bonhomme, C.; Laine, R. M.; Soles, C. L.; Hristov, H. A.; Yee, A. F. J. Am. Chem. Soc. 1998, 120, 8380.
17. Knischka, R.; Dietsche, F.; Hanselmann, R.; Frey, H.; Mulhaupt, R.; Lutz, P. J. Langmuir 1999, 15, 4752.
18. Kim, B. S.; Mather, P. T. Macromolecules 2002, 35, 8378.
19. Leu, C. M.; Reddy, G. M.; Wei, K. H.; Shu, C. F. Chem. Mater. 2003, 15, 2261.
20. Cardoen, G.; Coughlin, E. B. Macromolecules 2004, 37, 5123.
21. Fu, B. X.; Zhang, W.; Hsiao, B. S.; Rafailovich, M.; Sokolov, J.; Johansson, G.; Sauer, B. B.; Phillips, S.; Balnski, R.; High Perform. Polym. 2000, 12, 565.
22. Gao, F.; Tong, Y. H.; Schricker, S. R.; Culbertson, B. M. Polym. Adv. Technol. 2001, 12, 355.
23. Mather, P. T.; Jeon, H. G.; Romo-Uribe, A. Haddad, T. S.; Lichtenhan, J. D. Macromolecules 1999, 32, 1194.
24. Leu, C. M.; Chang, Y. T.; Wei, K. H. Chem. Mater. 2003, 15, 3721.
25. Leu, C. M.; Chang, Y. T.; Wei, K. H. Macromolecules 2003, 36, 9122.
26. Carroll, J. B.; Waddon, A. J.; Nakade, H.; Rotello, V. M. Macromolecules 2003, 36, 6289.
27. Earley, C. W. J. Phys. Chem. 1994, 98, 8693.
28. Xiang, K. H.; Pandey, R.; Pernisz, U. C.; Freeman, C. J. Phys. Chem. B 1998, 102, 8704.
29. Li, H.-C.; Lee, C.-Y.; McCabe, C.; Striolo, A.; Neurock, M. J. Phys. Chem. A 2007, 111, 3577.
30. Bharadwaj, R. K.; Berry, R. J.; Farmer, B. L. Polymer 2000, 41, 7209.
31. Striolo, A.; Naicker, P. K.; Chialvo, A. A.; Cummings, P. T.; Gubbins, K. E. Adsorption 2005, 11, 397.
32. Striolo, A.; McCabe, C.; Cummings, P. T. Macromolecules 2005, 38, 8950
33. Capaldi, F. M.; Rutledge, G. C.; Boyce, M. C. Macromolecules 2005, 38, 6700.
34. Lamm, M. H.; Chen, T.; Glotzer, S. C. Nano Lett. 2003, 3, 989.
35. Chan, E. R.; Zhang, X.; Lee, C. Y.; Neurock, M.; Glotzer, S. C. Macromolecules 2005, 38, 6168.
36. Zhang, X.; Chan, E. R.; Glotzer, S. C. J. Chem. Phys. 2005, 123.
37. Ionescu, T. C.; Qi, F.; McCabe, C.; Striolo, A.; Kieffer, J.; Cummings, P. T. J. Phys. Chem. B 2006, 110, 2502.
38. Andersen, H. C. J. Chem. Phys. 1980, 72, 2384.
39. Duffrene, L.; Kieffer, J. J. Phys. Chem. Solids 1998, 59, 1025.
40. Huang, L. P.; Kieffer, J. J. Chem. Phys. 2003, 118, 1487.
41. Jorgensen, W. L.; Madura, J. D.; Swenson, C. J. J. Am. Chem. Soc. 1984, 106, 6638.
42. Chen, B.; Martin, M. G.; Siepmann, J. I. J. Phys. Chem. B 1998, 102, 2578.
43. Chen, B.; Siepmann, J. I. J. Phys. Chem. B 1999, 103, 5370.
44. Calzaferri, G.; Imhof, R.; Tornroos, K. W. J. Chem. Soc., Dalton Trans. 1994, 3123.
45. Parrinello, M.; Rahman, A. J. Appl. Phys. 1981, 52, 7182.
46. Xia, T. K.; Landman, U. J. Chem. Phys. 1994, 101, 2498.
47. Bolln, C.; Tsuchida, A.; Frey, H.; Mulhaupt, R. Chem. Mater. 1997, 9, 1475.
48. Larsson, K. Ark. Kemi 1960, 16, 215.
49. Peng, Y.; McCabe, C. Mol. Phys. 2007, 105, 261.
50. http://www.npi.gov.au/database/substance-info (2007).