Mathematical Model for Li-S Cell with Shuttling-Induced Capacity Loss Approximation: Article No. 130532

Niloofar Kamyab, Paul Coman, Shiv Reddy, Shriram Santhanagopalan, Ralph White

Research output: Contribution to journalArticlepeer-review

4 Scopus Citations


Lithium sulfur (Li-S) batteries have the potential to outperform the current lithium ion batteries and transform the technology of the future. However, dissolution, diffusion, and shuttling of the dissolved polysulfides result in parasitic reactions and substantial capacity loss. To provide a better understanding of the shuttling process, a 1D porous electrode mathematical model has been developed in this paper. An approximation method is used to account for the shuttling-induced capacity loss by adding an extra source/sink term in the material balance equations for the species involved in the parasitic reactions. Shuttling constants used in the source terms can be determined by fitting the model predictions to the experimental measurements. The results showed that by including the approximation method, the model was able to predict the active material loss and the continuous decrease of volume fractions of Li2S on the cathode surface. The model sheds light on the capacity loss mechanism occurring inside the cell as a result of the shuttling of polysulfides.
Original languageAmerican English
Number of pages12
JournalJournal of the Electrochemical Society
Issue number13
StatePublished - 2020

NREL Publication Number

  • NREL/JA-5700-77864


  • batteries
  • cycling
  • lithium
  • lithium sulfur
  • modeling
  • polysulfide shuttle
  • simulation


Dive into the research topics of 'Mathematical Model for Li-S Cell with Shuttling-Induced Capacity Loss Approximation: Article No. 130532'. Together they form a unique fingerprint.

Cite this