Hostname: page-component-cd9895bd7-dk4vv Total loading time: 0 Render date: 2024-12-27T01:32:09.038Z Has data issue: false hasContentIssue false
  • English
  • Français

Simulation Studies of Polymer Electrolytes for Battery Applications

Published online by Cambridge University Press:  10 February 2011

J. W. Halley  and
B. Nielsen
J. W. Halley
Affiliation:
School of Physics and Astronomy, University of Minnesota, Minneapolis, Minnesota 55455, [email protected]
B. Nielsen
Affiliation:
School of Physics and Astronomy, University of Minnesota, Minneapolis, Minnesota 55455, [email protected]
Get access

Abstract

We report modeling studies of polyethylene oxide which are carried out with the goal of elucidating the mechanism of ion conduction in the temperature range of interest to battery applications. We review our previous work in which the amorphous regions of the polymer between its glass and melting temperatures is modeled by a molecular dynamics algorithm in which the model system is polymerized from a model monomeric liquid. We describe new work in which the hydrogen centers are added to the model in order to permit comparison with recent neutron work. We compare our simulations of frequency dependent conductivity with experiment and end with a brief discussion of possibilities for improved conductivity which our current understanding suggests.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 496: Symposium Y – Materials For Electrochemical Energy Storage & Conversion II… , 1997 , 101
Copyright
Copyright © Materials Research Society 1998

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Gray, F., Solid Polymer Electrolytes, VCH, NY, 1991 pp 108–111 Google Scholar
2. Lin, B., Halley, J.W. and Boinske, P.T., J. Chem. Phys. 105, 1668 (1996)10.1063/1.472035Google Scholar
3. Rigby, D. and Roe, R-J, J. Chem. Phys. 87, 7285 (1987)10.1063/1.453321Google Scholar
4. Mckechnie, J.I., Brown, D. and Clarke, J.H.R., Macromolecules, 25, 1562 (1992)Google Scholar
5. Brown, D., Clarke, J.H.R., Okuda, M. and Yamazaki, T., J. Chem. Phys. 100, 6011 (1994)10.1063/1.467111Google Scholar
6. Neyertz, S. and Brown, D., J. Chem. Phys. 102, 9725 (1995)Google Scholar
7. Lin, B. and Halley, J. W., J. Physical Chemistry 99, 16474 (1995 Google Scholar
8. Berthier, C., Gorecki, W., Minier, M., Armand, M. B., Chabgno, J. M. and Rigaud, P., Solid State Ionics 11, 91 (1983).10.1016/0167-2738(83)90068-1Google Scholar
9. Bailey, F.E. and Koleske, J.V., “Polyethylene oxide)” (Academic Press, New York, 1976), pp. 24 Google Scholar
10. Saboungi, M-L., Price, D. and Halley, J. W. (unpublished)Google Scholar
11. Boinske, P. T., Curtiss, L., Halley, J. W., Lin, B. and Sujianto, A., Journal of Computer-Aided Materials Design 3, 385 (1996)Google Scholar
12. The problem is well known but not widely discussed in the literature. Some workers changed the model unrealistically until the ion diffused on calculable scales.Google Scholar
13. Wong, T., Brodwin, M., Papke, B. L. and Shriver, D. F., Solid State Ionics 5, 689 (1981)Google Scholar
14. Reference [1] p. 97 Google Scholar
15. Reference[1], p. 104 Google Scholar
16. Referencef[1] p. 136 Google Scholar
17. Huq, R. and Farrington, G. C., J. Electrochem. Soc. 135, 524 (1988)Google Scholar