Atomistic simulations of dilute polyelectrolyte solutions

Journal of Physical Chemistry B

Volumn 116, Issue 14, 2012, Pages 4319-4327

  Park, Soohyung ^a   Zhu, Xiao ^a   Yethiraj, Arun ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; POLYSTYRENES; SODIUM; STYRENE;

ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS; ATOMISTIC SIMULATIONS; BENZENE RING; CHARGED GROUPS; CONFIGURATIONAL SPACES; CONFORMATIONAL CHANGE; CONTACT PAIR; COUNTERIONS; ELECTROSTATIC REPULSION; EQUILIBRIUM PROPERTIES; EXPLICIT SOLVENTS; HYDROPHOBIC ATTRACTION; INNER REGION; NONBONDED INTERACTION; PAIR CORRELATION FUNCTIONS; PAIR CORRELATIONS; POLYELECTROLYTE SOLUTIONS; POLYMER CHAINS; POLYSTYRENE CHAINS; POLYSTYRENE SULFONATE; REPLICA EXCHANGE MOLECULAR DYNAMICS; ROTATIONAL BARRIERS; SULFONATE GROUPS;

POLYELECTROLYTES;

EID: 84859754499     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp208138t     Document Type: Article

References (49)

1. Dobrynin, A. V. Curr. Opin. Colloid Interface Sci. 2008, 13, 376
2. Volk, N.; Vollmer, D.; Schmidt, M.; Oppermann, W.; Huber, K. Polyelectrolytes with Defined Molecular Architecture II Adv. Polym. Sci. 2004, 166, 29
3. Holm, C.; Joanny, J. F.; Kremer, K.; Netz, R. R.; Reineker, P.; Seidel, C.; Vilgis, T. A.; Winkler, R. G. Polyelectrolytes with Defined Molecular Architecture II Adv. Polym. Sci. 2004, 166, 3
4. Grosberg, A. Y.; Nguyen, T. T.; Shklovskii, B. I. Rev. Mod. Phys. 2002, 74, 329
5. Barrat, J.-L.; Joanny, J. F. Adv. Chem. Phys. 1996, 94, 1
6. Forster, S.; Schmidt, M. Physcial Properties of Polymers Adv. Polym. Sci. 1995, 120, 51
7. Spiteri, M. N.; Williams, C. E.; Boue, F. Macromolecules 2007, 40, 6679
8. Combet, J.; Isel, F.; Rawiso, M.; Boue, F. Macromolecules 2005, 38, 7456
9. Qu, D.; Baigl, D.; Williams, C. E.; Mohwald, H.; Fery, A. Macromolecules 2003, 36, 6878
10. Prabhu, V. M.; Muthukumar, M.; Wignall, G. D.; Melnichenko, Y. B. J. Chem. Phys. 2003, 119, 4085
11. Buhler, E.; Boue, F. Eur. Phys. J. E 2003, 10, 89
12. Dubois, E.; Boue, F. Macromolecules 2001, 34, 3684
13. Zhang, Y. B.; Douglas, J. F.; Ermi, B. D.; Amis, E. J. J. Chem. Phys. 2001, 114, 3299
14. Spiteri, M. N.; Boue, F.; Lapp, A.; Cotton, J. P. Physica B 1997, 234, 303
15. Spiteri, M. N.; Boue, F.; Lapp, A.; Cotton, J. P. Phys. Rev. Lett. 1996, 77, 5218
16. Baigl, D.; Sferrazza, M.; Williams, C. Europhys. Lett. 2003, 62, 110
17. deGennes, P. G.; Pincus, P.; Velasco, R. M.; Brochard, F. J. Phys.-Paris 1976, 37, 1461
18. Muthukumar, M. J. Chem. Phys. 1996, 105, 5183
19. Yethiraj, A. Phys. Rev. Lett. 1997, 78, 3789-3792
20. Yethiraj, A. J. Chem. Phys. 1998, 108, 1184
21. Shew, C. Y.; Yethiraj, A. J. Chem. Phys. 1999, 110, 5437
22. Shew, C. Y.; Yethiraj, A. J. Chem. Phys. 1999, 110, 11599
23. Shew, C. Y.; Yethiraj, A. J. Chem. Phys. 2002, 116, 5308
24. Yethiraj, A. J. Phys. Chem. B 2009, 113, 1539
25. Stevens, M. J.; Kremer, K. J. Chem. Phys. 1995, 103, 1669
26. Stevens, M. J.; Kremer, K. J. Phys. II 1996, 6, 1607
27. Winkler, R. G.; Gold, M.; Reineker, P. Phys. Rev. Lett. 1998, 80, 3731
28. Chang, R. W.; Yethiraj, A. J. Chem. Phys. 2002, 116, 5284
29. Chang, R. W.; Yethiraj, A. J. Chem. Phys. 2003, 118, 11315
30. Chang, R. W.; Yethiraj, A. Macromolecules 2005, 38, 607
31. Liu, S.; Muthukumar, M. J. Chem. Phys. 2002, 116, 9975
32. Liu, S.; Ghosh, K.; Muthukumar, M. J. Chem. Phys. 2003, 119, 1813
33. Chang, R.; Yethiraj, A. Macromolecules 2006, 39, 821
34. Reddy, G.; Yethiraj, A. Macromolecules 2006, 39, 8536
35. Reddy, G.; Yethiraj, A. J. Chem. Phys. 2010, 132, 74903.
36. Chang, R. W.; Yethiraj, A. J. Chem. Phys. 2001, 114, 7688
37. Chang, R. W.; Yethiraj, A. J. Chem. Phys. 2003, 118, 6634
38. Reith, D.; Meyer, H.; Muller-Plathe, F. Macromolecules 2001, 34, 2335
39. Reith, D.; Muller, B.; Muller-Plathe, F.; Wiegand, S. J. Chem. Phys. 2002, 116, 9100
40. Molnar, F.; Rieger, J. Langmuir 2005, 21, 786
41. Chialvo, A. A.; Simonson, J. M. J. Phys. Chem. B 2005, 109, 23031
42. Laguecir, A.; Ulrich, S.; Labille, J.; Fatin-Rouge, N.; Stoll, S.; Buffle, J. Eur. Polym. J. 2006, 42, 1135
43. Carrillo, J.-M. Y.; Dobrynin, A. V. J. Phys. Chem. B 2010, 114, 9391
44. Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. J. Chem. Theory Comput. 2008, 4, 435
45. MacKerell, A.; Bashford, D.; Bellott, M.; Dunbrack, R.; Evanseck, J.; Field, M.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F.; Mattos, C.; Michnick, S.; Ngo, T.; Nguyen, D.; Prodhom, B.; Reiher, W.; Roux, B.; Schlenkrich, M.; Smith, J.; Stote, R.; Straub, J.; Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. J. Phys. Chem. B 1998, 102, 3586
46. Bjelkmar, P.; Larsson, P.; Cuendet, M. A.; Hess, B.; Lindahl, E. J. Chem. Theory Comput. 2010, 6, 459
47. Callahan, K. M.; Casillas-Ituarte, N. N.; Roeselova′, M.; Allen, H. C.; Tobias, D. J. J. Phys. Chem. A 2010, 114, 5141
48. Manning, G. S. J. Chem. Phys. 1969, 51, 924
49. Kumar, S.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A.; Rosenberg, J. M. J. Comput. Chem. 1992, 13, 1011