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Open Access Publications from the University of California

From molecular models to system analysis for lithium battery electrolytes

  • Author(s): Kerr, JB
  • Sloop, SE
  • Liu, G
  • Han, YB
  • Hou, J
  • Wang, S
  • et al.

A discussion covers the behavior of polymer electrolytes in lithium batteries in the context of molecular scale models as well as on the system scale; how the molecular structure of the electrolyte strongly influences ion transport through the polymer as well as across the interfaces; determining the values of a number of parameters needed for system models that can predict the performance of the battery; electrochemically induced side reactions generate the solid electrolyte interface layer; changes in the mechanical properties of the separator and electrode structure that promote life-limiting phenomena; use of the rheological model of Eisenberg to show how the interactions of the electrolyte with surfaces can lead to distinct changes in mechanical and transport properties that may limit the battery performance and lead to diminished performance with time; and combination of the molecular level models with the rheological models to provide workable models of the interfaces and bulk electrolyte dynamics that in turn can be used to provide a more accurate level of performance prediction from the system models.

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