Modeling of water-free and water containing solid polyelectrolytes

Polymer

Volumn 41, Issue 3, 2000, Pages 985-990

  Ennari, J ^a   Elomaa, M ^a   Neelov, I ^a   Sundholm, F ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

Author keywords

Coordination; Modeling; Polyelectrolyte

Indexed keywords

COMPUTER SIMULATION; COORDINATION REACTIONS; INFRARED SPECTROSCOPY; IONS; MOLECULAR DYNAMICS; POLYETHYLENE OXIDES; PROTONS; RAMAN SPECTROSCOPY; VAN DER WAALS FORCES; WATER;

ATOMISTIC MOLECULAR MODELING; CONDUCTING SYSTEM; HOPPING MECHANISM; SULFONIC ACID ANION; VAN DER WAALS RADIUS;

POLYELECTROLYTES;

MACROGOL; POLYELECTROLYTE; SULFONIC ACID DERIVATIVE; WATER;

ARTICLE; COMPUTER SIMULATION; DIFFUSION; EXPERIMENTATION; MOLECULAR MODEL; THEORY;

EID: 0034142541     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0032-3861(99)00235-9     Document Type: Article

References (27)

1. Poulsen FW, Bonanos N, Linderoth S, Mogensen M, Zachau-Christiansen B, editors. Proceedings of the 17th Risø International Symposium on Materials Science, Risø National Laboratory, Roskilde, Denmark 1996.
2. Kreuer K.D. Chem Mater. 8:1996;610.
3. Gottesfeld S., Zawodzinski T.A. Alkire R.C., Gerischer H., Kolb D.M., Tobias C.W. Advances in electrochemical science and engineering. 5:1997;197 Wiley-VCH, Weinheim.
4. Herranen J., Kinnunen J., Mattson B., Rinne H., Sundholm F., Torell L. Solid State Ionics. 80:1995;201.
5. Ennari J., Elomaa M., Sundholm F. Polymer. 40:1999;5035.
6. Ennari J, Neelov I, Sundholm F, Comput Theor Polym Sci, submitted for publication.
7. Eikerling M., Kornyshev A.A., Stimming U. J Phys Chem B. 101:(50):1997;10807.
8. Allen M.P., Tildesley D.J. Computer simulation of liquids. 1987;Clarendon Press, Oxford.
9. Raaska T., Niemelä S., Sundholm F. Macromolecules. 27:1994;5751.
10. Müller-Plathé F. Acta Polym. 45:1994;259.
11. Polymer User Guide, part 1. San Diego, CA: Biosym Technologies, 1993. p. 3-12.
12. Insight II User Guide, October 1995, MSI, San Diego, CA, 1995.
13. Sun H. J Comp Chem. 15:1994;725.
14. Sun H. Macromolecules. 28:1995;701.
15. Hill J-R., Sauer J. J Phys Chem. 98:1994;1238.
16. Maple J.A., Hwang M.J., Stockfisch T.P., Dinur U., Waldman M., Ewig C.S., Hagler A.T. J Compt Chem. 15:1994;162.
17. Sun H., Mumby S.J., Maple J.R., Hagler A.T. J Am Chem Soc. 116:1994;2978.
18. Ennari J., Hamara J., Sundholm F. Polymer. 38:1997;3733.
19. Neyertz S., Brown D., Thomas J.O. Electrochim Acta. 40:1995;2063.
20. Catlow C.R.A., Mills G.E. Electrochim Acta. 40:1995;2057.
21. Lüsse S., Arnold K. Macromolecules. 29:1996;4251.
22. Graham N.B., Zulfiqar M., Nwachuku N.E., Rashid A. Polymer. 30:1989;528.
23. Hey M.J., Ilett S.M. J Chem Soc, Faraday Trans. 87:1991;3671.
24. Hietala S., Holmberg S., Näsman J., Ostrovskii D., Paronen M., Serimaa R., Sundholm F., Torell L., Torkkelli M. Angew Makromol Chem. 253:1997;151.
25. Sondheimer S.J., Bunce N.J., Fyfe C.A. J Macromol Sci-Rev Macromol Chem Phys. C26:(3):1986;361.
26. Soper A.K., Philips M.G. Chem Phys. 107:1986;47.
27. Bruce P.G., Vincent C.A. J Chem Soc Faraday Trans. 89:1993;3187.