Simulations of structure and transport in polymer electrolytes

Vilia Ann Payne, Mark C. Lonergan, Maria Forsyth, Mark A Ratner, Duward F. Shriver, Simon W. de Leeuw, John W. Perram

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

Simulations implementing both Monte Carlo (MC) and molecular dynamics (MD) techniques were used to explore various aspects of polymer electrolytes. Evidence is presented to support the conclusion that collective behavior of ions determines much of the behavior of these complex materials. Simple theories attributing ion transport to either single ions or clusters of three ions are inadequate to explain ion transport behavior; in particular, the Nernst-Einstein relation commonly used to discuss polymer electrolytes is almost certainly quantitatively inappropriate for these materials.

Original languageEnglish
Pages (from-to)171-181
Number of pages11
JournalSolid State Ionics
Volume81
Issue number3-4
DOIs
Publication statusPublished - Nov 1 1995

Fingerprint

Electrolytes
Polymers
electrolytes
Ions
polymers
ions
simulation
Molecular dynamics
molecular dynamics

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Electrochemistry
  • Physical and Theoretical Chemistry
  • Energy Engineering and Power Technology
  • Materials Chemistry

Cite this

Payne, V. A., Lonergan, M. C., Forsyth, M., Ratner, M. A., Shriver, D. F., de Leeuw, S. W., & Perram, J. W. (1995). Simulations of structure and transport in polymer electrolytes. Solid State Ionics, 81(3-4), 171-181. https://doi.org/10.1016/0167-2738(95)00188-C

Simulations of structure and transport in polymer electrolytes. / Payne, Vilia Ann; Lonergan, Mark C.; Forsyth, Maria; Ratner, Mark A; Shriver, Duward F.; de Leeuw, Simon W.; Perram, John W.

In: Solid State Ionics, Vol. 81, No. 3-4, 01.11.1995, p. 171-181.

Research output: Contribution to journalArticle

Payne, VA, Lonergan, MC, Forsyth, M, Ratner, MA, Shriver, DF, de Leeuw, SW & Perram, JW 1995, 'Simulations of structure and transport in polymer electrolytes', Solid State Ionics, vol. 81, no. 3-4, pp. 171-181. https://doi.org/10.1016/0167-2738(95)00188-C
Payne VA, Lonergan MC, Forsyth M, Ratner MA, Shriver DF, de Leeuw SW et al. Simulations of structure and transport in polymer electrolytes. Solid State Ionics. 1995 Nov 1;81(3-4):171-181. https://doi.org/10.1016/0167-2738(95)00188-C
Payne, Vilia Ann ; Lonergan, Mark C. ; Forsyth, Maria ; Ratner, Mark A ; Shriver, Duward F. ; de Leeuw, Simon W. ; Perram, John W. / Simulations of structure and transport in polymer electrolytes. In: Solid State Ionics. 1995 ; Vol. 81, No. 3-4. pp. 171-181.
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