In situ polymerization of the 4-vinylbenzenesulfonic anion in Ni - Al - layered double hydroxide and its molecular dynamic simulation

Journal of Physical Chemistry A

Volumn 112, Issue 33, 2008, Pages 7671-7681

  Yan, Dongpeng ^a   Lu, Jun ^a   Wei, Min ^a   Li, Hui ^b   Jing, Ma ^b   Li, Feng ^a   Evans, David G ^a   Duan, Xue ^a  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

^b NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABS RESINS; ABSORPTION; ABSORPTION SPECTROSCOPY; ALUMINUM; CHEMICAL REACTIONS; COMPUTER NETWORKS; COMPUTER SIMULATION; DYNAMICS; EXPERIMENTS; FREE RADICAL POLYMERIZATION; KETONES; MOLECULAR DYNAMICS; MOLECULES; NEGATIVE IONS; NICKEL; NICKEL ALLOYS; POLYMERIZATION; POLYMERS; QUANTUM CHEMISTRY; REACTION KINETICS; SYSTEMS ENGINEERING; THORIA; ULTRAVIOLET SPECTROSCOPY; WATER CONTENT; X RAY ANALYSIS; X RAY DIFFRACTION ANALYSIS;

INTERLAYER WATERS; LAYERED DOUBLE HYDROXIDE; POLYMERIZATION PROCESSES;

MONOMERS;

EID: 51049091433     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp801922b     Document Type: Article

References (49)

1. Constantino, V. R. L.; Pinnavaia, T. J. Catal. Lett. 1994, 23, 361.
2. Corma, A.; Fornes, V.; Rey, F.; Cervilla, A.; Llopis, E.; Ribera, A. J. Catal. 1995, 152, 237.
3. Fogg, A. M.; Green, V. M.; Harvey, H. G.; O'Hare, D. Adv. Mater. 1999, 17, 1466.
4. Fogg, A. M.; Dunn, J. S.; Shyu, S. G.; Cary, D. R.; O'Hare, D. Chem. Mater. 1998, 10, 351.
5. Khan, A. I.; Norquist, A. J.; O'Hare, D. Chem. Commun. 2001, 2342.
6. Choy, J. H.; Jung, J.; Oh, S. J. M.; Park, M.; Jeong, J.; Kang, Y. K.; Han, O. J. Biomaterials 2004, 25, 3059.
7. Ogawa, M.; Kuroda, K. Chem. Rev. 1995, 95, 399.
8. Tagaya, H.; Sato, S.; Kuwahara, T.; Kadokawa, J.; Masa, K.; Chiba, K. J. Mater.Chem. 1994, 4, 1907.
9. Venugopal, B. R.; Ravishankar, N.; Perrey, C. R.; Shivakumara, C.; Rajamathi, M. J. Phys. Chem. B 2006, 110, 772.
10. Wei, M.; Shi, Z. Y.; Evans, D. G.; Duan, X. J. Mater. Chem. 2006, 16, 2102.
11. Schöllhorn, R. Chem. Mater. 1996, 8, 1747.
12. Moujahid, E. M.; Dubois, M.; Besse, J.-P.; Leroux, F. Chem. Mater. 2005, 17, 373.
13. Roland-Swanson, C.; Besse, J.-P.; Leroux, F. Chem. Mater. 2004, 16, 5512.
14. Vaysse, C.; Guerlou-Demourgues, L.; Duguet, E.; Delmas, C. Inorg. Chem. 2003, 15, 4559.
15. Moujahid, E. M.; Besse, J.-P.; Leroux, F. J. Mater. Chem. 2002, 12, 3324.
16. Vieille, L.; Taviot-Gueho, C.; Besse, J.-P.; Leroux, F. Chem. Mater. 2003, 15, 4369.
17. Moujahid, E. M.; Dubois, M.; Besse, J.-P.; Leroux, F. J. Mater. Chem. 2003, 15, 258.
18. Leroux, F.; Raymundo-Piñero, E.; Nedeleca, J.-M.; Béguin, F. J. Mater. Chem 2006, 16, 2074.
19. Greenwell, H. C.; Jones, W.; Peter, V. C.; Stackhouse, S. J. Mater. Chem. 2006, 16, 708.
20. Boek, E. S.; Coveney, P. V.; Skipper, N. T. J. Am. Chem. Soc. 1995, 117, 12608.
21. Hensen, E. J. M.; Smit, B. J. Phys. Chem. B 2002, 106, 12664.
22. Smith, D. E. Langmuir 1998, 14, 5959.
23. Aicken, A. M.; Bell, I. S.; Coveney, P. V.; Jones, W. Adv. Mater. 1997, 9, 496.
24. Newman, S. P.; Williams, S. J.; Coveney, P. V.; Jones, W. J. Phys. Chem. B 1998, 102, 6710.
25. Titiloye, J. O.; Skipper, N. T. Chem. Phys. Lett. 2000, 329, 23.
26. Wang, J. W.; Kalinichev, A. G.; Kirkpatrick, R. J.; Hou, X. Q. Chem. Mater. 2001, 13, 145.
27. Kalinichev, A. G.; Kirkpatrick, R. J. Chem. Mater. 2002, 14, 3539.
28. Cygan, R. T.; Liang, J. J.; Kalinichev, A. G. J. Phys. Chem. B 2004, 108, 1255.
29. Mohanambe, L.; Vasudevan, S. Langmuir 2005, 21, 10735.
30. Mohanambe, L.; Vasudevan, S. J. Phys. Chem. B 2005, 109, 15651.
31. Li, H.; Ma, J.; Evans, D. G.; Zhou, T.; Li, F.; Duan, X. Chem. Mater. 2006, 18, 4405.
32. Kumar, P. P.; Kalinichev, A. G.; Kirkpatrick, R. J. J. Phys. Chem. B2006, 110, 3841.
33. Kumar, P. P.; Kalinichev, A. G.; Kirkpatrick, R. J. J. Phys. Chem. C 2007, 111, 13517.
34. Mayo, S. L.; Olafson, B. D.; Goddard, W. A. J. Phys. Chem. 1990, 94, 8897.
35. Kalinichev, A. G.; Kirkpatrick, R. J.; Cygan, R. T. Am. Mineral. 2000, 85, 1046.
36. Beneke, M. M. K.; Lagaly, G. Inorg. Chem. 1990, 29, 5201.
37. Hernandez-Moreno, M. J. H.; Ulibarri, M. A.; Rendon, J. L.; Serna, C. J. Phys. Chem. Miner. 1985, 12, 34.
38. Leach, A. R. Molecular Modeling, Principles and Applications, 2nd ed.; Pearson Education Ltd.: England, 2001.
39. Rappé, A. K.; Goddard, W. A. J. Phys. Chem. 1991, 95, 3358.
40. Maple, J. R.; Hwang, M.-J.; Stockfisch, T. P.; Dinur, U.; Waldman, M.; Ewig, C. S.; Hagler, A. T. J. Comput. Chem. 1994, 15, 162.
41. Mulliken, R. S. J. Chem. Phys. 1955, 23, 1833.
42. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R., Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N., Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y., Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.;Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision B.04, Gaussian, Inc.: Pittsburgh, PA, 2003.
43. Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; Hermans, J., Interaction models for water in relation to protein hydration. In Intermolecular Forces; Pullman, B.,. Ed.; Riedel, Dordrecht, The Netherlands, 1981; p 331.
44. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Clarendon: Oxford, U.K., 1987.
45. Andersen, H. C. J. Chem. Phys. 1980, 72, 2384.
46. Parrinello, M.; Rahman, A. J. Appl. Phys. 1981, 52, 7182.
47. Discover Module, MS Modeling, version 2.2, Accelrys Inc.: San, Diego, CA, 2003.
48. Malvaldi, M.; Bruzzone, S.; Picchioni, F. J. Phys. Chem. B 2006, 110, 12281.
49. Moujahid, E. M.; Dubois, M.; Besse, J.-P.; Leroux, F. Chem. Mater. 2002, 14, 3799.