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Molecular Modeling of the Dielectric Saturation in Proton Exchange Membranes

Published online by Cambridge University Press:  21 March 2011

Reginald Paul  and
Stephen J. Paddison
Reginald Paul
Affiliation:
Chemistry Department, The University of Calgary, Canada T2N 1N4
Stephen J. Paddison
Affiliation:
Computational Materials Group, Motorola Inc., Los Alamos Research Park, Los Alamos, NM 87544
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Abstract

A molecular statistical mechanical method is employed to compute the field dependant permittivity of water contained in the hydrophilic pores of hydrated proton exchange membranes. The anionic (-SO-3) groups in proximity to the pore walls generate spatially varying fields resulting in dielectric saturation, the effects of which are investigated.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 677: Symposium AA – Advances in Materials Theory and Modeling–Bridging Over Multiple-Length and Time Scales , 2001 , AA7.16
Copyright
Copyright © Materials Research Society 2001

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References

REFERENCES

[1] Zawodzinski, T. A. Jr., Derouin, C., Radzinski, S., Sherman, R. J., Smith, V. T., Springer, T. E., and Gottesfeld, S., J. Electrochem. Soc., 140, 1041, (1993).Google Scholar
[2] Paddison, S. J., Pratt, L. R., Zawodzinski, T. A. Jr., and Reagor, D. W., Fluid Phase Equilibria, 150, 235, (1998).Google Scholar
[3] Paddison, S. J. and Zawodzinski, T. A. Jr., Solid State Ionics, 113–115, 333, (1998).Google Scholar
[4] Paddison, S. J., Pratt, L. R., and Zawodzinski, T. A. Jr., J. New Mater. Electrochem. Sys., 2, 183, (1999).Google Scholar
[5] Paddison, S. J., Paul, R., and Zawodzinski, T. A. Jr., in Proton Conducting Membrane Fuel Cells II, edited by Gottesfeld, S. and Fuller, T. F., PV 98-27, p 106, The Electrochemical Society Proceeding Series, Pennington, NJ (1999).Google Scholar
[6] Paddison, S. J., Paul, R., and Zawodzinski, T. A. Jr., J. Electrochem. Soc., 147, 617, (2000).Google Scholar
[7] Landau, L. D. and Lifshitz, E. M., Electrodynamics of Continuous Media, (Pergamon Press), Chapter 2.Google Scholar
[8] Paul, R. and Paddison, S. J., J. Chem. Phys., submitted (2001).Google Scholar
[9] McQuarrie, D. A., Statistical Mechanics, (Harper & Row), Chapter 3.Google Scholar
[10] Bernal, J. D. and Fowler, R. H., J. Chem. Phys., 1, 515, (1933).Google Scholar
[11] Grønbech-Jensen, N., Hummer, G., and Beardmore, K. M., Mol. Phys., 92, 941 (1997).Google Scholar
[12] Nienhaus, G. and Deutch, J. M., J. Chem. Phys., 56, 1819, (1972).Google Scholar
[13] Paddison, S. J., Paul, R., Kreuer, Klaus-Dieter and Zawodzinski, T. A. Jr., in Direct Methanol Fuel Cells, edited by Narayanan, S., Gottesfeld, S. and Zawodzinski, T. A., PV 01-04, The Electrochemical Society Proceedings Series, Pennington, NJ (2001), in press.Google Scholar
[14] Paddison, S. J., Paul, R., and Pivovar, B. S., in Direct Methanol Fuel Cells, edited by Narayanan, S., Gottesfeld, S. and Zawodzinski, T. A., PV 01-04, The Electrochemical Society Proceedings Series, Pennington, NJ (2001), in press.Google Scholar