Detailed molecular dynamics simulations of a model NaPSS in water

Journal of Physical Chemistry B

Volumn 114, Issue 29, 2010, Pages 9391-9399

  Carrillo, Jan Michael Y ^a   Dobrynin, Andrey V ^a  

^a UNIVERSITY OF CONNECTICUT   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONDENSATION; DISTRIBUTION FUNCTIONS; MOLECULAR DYNAMICS; MOLECULES; POLYELECTROLYTES; POLYMERIZATION; POLYSTYRENES; STYRENE;

AQUEOUS SOLUTIONS; CHAIN SIZE; CHARGED MONOMERS; COUNTERION CONDENSATION; COUNTERIONS; DEGREE OF POLYMERIZATION; DIELECTRIC CONSTANTS; DIELECTRIC CONTINUUM; F VALUES; HYDROPHOBIC POLYELECTROLYTES; ION INTERACTIONS; MOLECULAR DYNAMICS SIMULATIONS; POLYELECTROLYTE CONFORMATION; POLYSTYRENE SULFONATE; RADIAL DISTRIBUTION FUNCTIONS; SHORT RANGE INTERACTIONS; SODIUM SULFONATE; WATER MOLECULE;

CONFORMATIONS;

EID: 77954902029     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp101978k     Document Type: Article

References (51)

1. Oosawa, F. Polyelectrolytes; Marcel Dekker: New York, 1971.
2. Forster, S.; Schmidt, M. Adv. Polym. Sci. 1995, 120, 51
3. Mandel, M. In Encyclopedia of polymer science and engineering; Wiley: New York, 1988.
4. Hara, M. Polyelectrolytes; Marcel Dekker: New York, 1993.
5. Barrat, J. L.; Joanny, J. F. Adv. Chem. Phys. 1996, 94, 1
6. Dobrynin, A. V.; Rubinstein, M. Prog. Polym. Sci. 2005, 30, 1049
7. Dobrynin, A. V. Curr. Opin. Colloid Interface Sci. 2008, 13, 376
8. Grosberg, A. Y.; Khokhlov, A. R. Statistical Physics of Macromolecules; AIP Press: New York, 1994.
9. Rubinstein, M.; Colby, R. H. Polymer Physics; Oxford University Press: New York, 2003.
10. Doi, M.; Edwards, S. F. The theory of polymer dynamics; Oxford University Press: New York, 1986.
11. Rayleigh, L. Philos. Mag. 1882, 14, 184
12. Dobrynin, A. V.; Rubinstein, M.; Obukhov, S. P. Macromolecules 1996, 29, 2974
13. Chodanowski, P.; Stoll, S. J. Chem. Phys. 1999, 111, 6069
14. Lyulin, A. V.; Dunweg, B.; Borisov, O. V.; Darinskii, A. A. Macromolecules 1999, 32, 3264
15. Solis, F. J.; de la Cruz, M. O. Macromolecules 1998, 31, 5502
16. Balazs, A. C.; Singh, C.; Zhulina, E.; Chern, S. S.; Lyatskaya, Y.; Pickett, G. Prog. Surf. Sci. 1997, 55, 181
17. Migliorini, G.; Lee, N.; Rostiashvili, V.; Vilgis, T. A. Eur. Phys. J. E 2001, 6, 259
18. Dobrynin, A. V.; Rubinstein, M. Macromolecules 2001, 34, 1964
19. Dobrynin, A. V.; Rubinstein, M. Macromolecules 1999, 32, 915
20. Aseyev, V. O.; Klenin, S. I.; Tenhu, H.; Grillo, I.; Geissler, E. Macromolecules 2001, 34, 3706
21. Lee, M. J.; Green, M. M.; Mikes, F.; Morawetz, H. Macromolecules 2002, 35, 4216
22. Essafi, W. Ph.D. Thesis, Paris, 1996.
23. Essafi, W.; Spiteri, M. N.; Williams, C.; Boue, F. Macromolecules 2009, 42, 9568
24. Heitz, C.; Rawiso, M.; Francois, J. Polymer 1999, 40, 1637
25. Waigh, T. A.; Ober, R.; Williams, C. E.; Galin, J. C. Macromolecules 2001, 34, 1973
26. Baigl, D.; Sferrazza, M.; Williams, C. E. Europhys. Lett. 2003, 62, 110
27. Qu, D.; Baigl, D.; Williams, C. E.; Mohwald, H.; Fery, A. Macromolecules 2003, 36, 6878
28. Bordi, F.; Cametti, C.; Gili, T.; Sennato, S.; Zuzzi, S.; Dou, S.; Colby, R. H. J. Chem. Phys. 2005, 122, 234906
29. Micka, U.; Holm, C.; Kremer, K. Langmuir 1999, 15, 4033
30. Micka, U.; Kremer, K. Europhys. Lett. 2000, 49, 189
31. Limbach, H. J.; Holm, C. Comput. Phys. Commun. 2002, 147, 321
32. Limbach, H. J.; Holm, C. J. Phys. Chem. B 2003, 107, 8041
33. Limbach, H. J.; Holm, C.; Kremer, K. Macromol. Symp. 2004, 211, 43
34. Liao, Q.; Dobrynin, A. V.; Rubinstein, M. Macromolecules 2006, 39, 1920
35. Jeon, J.; Dobrynin, A. V. Macromolecules 2007, 40, 7695
36. Jeon, J.; Dobrynin, A. V. J. Phys. Chem. B 2006, 110, 24652
37. Essafi, W.; Lafuma, F.; Baigl, D.; Williams, C. E. Europhys. Lett. 2005, 71, 938
38. Manning, G. S. J. Chem. Phys. 1969, 51, 924
39. Manning, G. S. Ber. Bunsen-Ges.: Phys. Chem. Chem. Phys. 1996, 100, 909
40. Chialvo, A. A.; Simonson, J. M. J. Phys. Chem. B 2005, 109, 23031
41. Chialvo, A. A.; Simonson, J. M. J. Mol. Liq. 2007, 134, 15
42. Druchok, M.; Hribar-Lee, B.; Krienke, H.; Vlachy, V. Chem. Phys. Lett. 2008, 450, 281
43. Price, D. J.; Brooks, C. L. J. Chem. Phys. 2004, 121, 10096
44. Weiner, S. J.; Kollman, P. A.; Case, D. A.; Singh, U. C.; Ghio, C.; Alagona, G.; Profeta, S.; Weiner, P. J. Am. Chem. Soc. 1984, 106, 765
45. Yang, L.; Tan, C.-H.; Hsieh, M.-J.; Wang, J.; Duan, Y.; Cieplak, P.; Caldwell, J.; Kollman, P. A.; Luo, R. J. Phys. Chem. B 2006, 110, 13166
46. Mondello, M.; Yang, H.-J.; Furuya, H.; Roe, R.-J. Macromolecules 1994, 27, 3566
47. Jang, S. S.; Lin, S.-T.; Maiti, P. K.; Blanco, M.; Goddard, W. A.; Shuler, P.; Tang, Y. J. Phys. Chem. B 2004, 108, 12130
48. Junmei, W.; Romain, M. W.; James, W. C.; Peter, A. K.; David, A. C. J. Comput. Chem. 2004, 25, 1157
49. Plimpton, S. J. J. Comput. Phys. 1995, 117, 1
50. Anderson, G. S.; Miller, R. C.; Goodwin, A. R. H. J. Chem. Eng. Data 2000, 45, 549
51. Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. J. Am. Chem. Soc. 1995, 117, 5179