A Molecular Dynamics study of short-chain polyelectrolytes in explicit water: Toward the origin of ion-specific effects

Chemical Physics Letters

Volumn 450, Issue 4-6, 2008, Pages 281-285

  Druchok, M ^a   Hribar Lee, B ^b   Krienke, H ^c   Vlachy, V ^b  

^a INSTITUTE FOR CONDENSED MATTER PHYSICS   (Ukraine)

^b UNIVERSITY OF LJUBLJANA   (Slovenia)

^c UNIVERSITY OF REGENSBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

IONS; MOLECULAR DYNAMICS; MOLECULAR WEIGHT; NITROGEN COMPOUNDS; SOLUTIONS; WATER;

EXPLICIT WATER; IONENE SOLUTIONS;

POLYELECTROLYTES;

EID: 37449000083     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.11.024     Document Type: Article

References (36)

1. Alexandrowicz Z., and Katchalsky A. J. Polym. Sci. A 1 (1963) 3231
2. Dolar D. In: Selegnyi E. (Ed). Polyelectrolytes (1974), D. Reidel, Dordrecht 97
3. Dautzenberg H., Jaeger W., Kötz J., Philipp B., Seidel C., and Stscherbina D. Polyelectrolytes Formation, Characterization and Application (1994), Hanser, Munich
4. Strauss U.P. Short-range interactions between polyions and small ions. In: Selegnyi E. (Ed). Polyelectrolytes (1974), D. Reidel, Dordrecht 79
5. Yang R., Wu H., Cao Y., and Bazan G.C. J. Am. Chem. Soc. 128 (2006) 14423
6. Hales P.W., and Pass G. Eur. Polym. J. 17 (1981) 651
7. Vesnaver G., Rudež M., Pohar C., and Škerjanc J. J. Phys. Chem. 88 (1984) 2411
8. Arh K., and Pohar C. Acta Chim. Slov. 48 (2001) 385
9. Manning G.S. J. Chem. Phys. 51 (1969) 924
10. Lipar I., Zalar P., Pohar C., and Vlachy V. J. Phys. Chem. B 111 (2007) 10130
11. Piñero J., Bhuiyan B.L., Reščič J., and Vlachy V. Acta Chim. Slov. 53 (2006) 316
12. Holm C., Joanny J.F., Kremer K., Netz R.R., Reineker P., Seidel C., Vilgis T.A., and Winkler R.G. Adv. Polym. Sci. 166 (2004) 67
13. Vlachy V., Hribar-Lee B., Reščič J., and Kalyuzhnyi Yu.V. In: Henderson D., Holovko M.F., and Trokhymchuk A. (Eds). Ionic Soft Matter: Modern Trends in Theory and Applications. NATO Science Series II: Mathematics, Physics and Chemistry vol. 206 (2005), Springer, Dordrecht 199
14. Kalyuzhnyi Yu.V., Vlachy V., and Cummings P.T. Chem. Phys. Lett. 438 (2007) 238
15. Molnar F., and Rieger J. Langmuir 21 (2005) 786
16. Chialvo A.A., and Simonson J.M. J. Phys. Chem. B 109 (2005) 23031
17. Chang R., and Yethiraj A. Macromolecules 39 (2006) 821
18. Nagaya J., Minakata A., and Tanioka A. Langmuir 15 (1999) 4129
19. Nagaya J., Minakata A., and Tanioka A. Colloids Surf. A 148 (1999) 163
20. Arh K., Pohar C., and Vlachy V. J. Phys. Chem. B 106 (2002) 9967
21. Wen W.Y. In: Horne R.A. (Ed). Water and Aqueous Solutions (1972), Wiley, New York 613
22. Slusher J.T., and Cummings P.T. J. Phys. Chem. B 101 (1997) 3818
23. Berendsen H.J.C., Grigera J.R., and Straatsma T.P. J. Phys. Chem. 91 (1987) 6269
24. Stewart J.J.P. J. Comp. Chem. 10 (1989) 209
25. Klamt A., and Schuurmann G. J. Chem. Soc., Perkin Trans. 2 (1993) 799
26. Stewart J.J.P. MOPAC 2002 (1999), Fujitsu Limited, Tokyo, Japan
27. Jorgensen W.L., Maxwell D.S., and Tirado-Rives J. J. Am. Chem. Soc. 118 (1996) 11225
28. Aqvist J. J. Phys. Chem. 94 (1990) 8021
29. Palinkas G., Riede O., and Heinzinger K. Z. Naturforsch. A 32 (1977) 1197
30. Hayle J.M. Molecular Dynamics Simulations: Elementary Methods (1992), Wiley, New York
31. Lee S.H., and Rasaiah J.C. J. Phys. Chem. 100 (1996) 1420
32. Lamoureux G., and Roux B. J. Phys. Chem. B 110 (2006) 3308
33. Ayala R., Martinez J.M., Pappalardo R.R., and Marcos E.S. J. Chem. Phys. 119 (2006) 9538
34. Ahn-Ercan G., Krienke H., and Kunz W. Curr. Opin. Colloid Interf. Sci. 9 (2004) 92
35. Hribar B., Southall N.T., Vlachy V., and Dill K.A. J. Am. Chem. Soc. 124 (2002) 12302
36. M. Lukšič, private communication.