Modelling of Solid Electrolyte Interface (SEI) layer of lithium-ion batteries using kinetic Monte Carlo approach

Bigyan Khanal, Behzad Bahrami, Huitian Lu, Qiquan Qiao

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 Scopus citations

Abstract

The accurate model on the growth of Solid-Electrolyte Interface (SEI) layer of Lithium-ion batteries is useful to study the capacity fade, ageing, and cycling life, and provides significant information to ensure the battery safety. The model for SEI layer dynamics is based on the Kinetic Monte Carlo approach, in which four major dynamical processes of adsorption, absorption, diffusion, and passivation are described by their individual rates, determined from chemical and physical properties of materials used in the battery. Total cycle numbers to be simulated determined the number of Kinetic Monte Carlo steps. The formation of a passive SEI layer with variable thickness is simulated based on the mathematical model of SEI dynamics. For every cycle, with the update of coverage and the thickness, the interfacial resistance is calculated. The simulation results are found consistent with literature where thickness increases as proportional to the square root of the time (cycle). The interfacial resistance obtained from the simulation is used in 1D-electrochemical model, to predict the charge-discharge behavior of the battery with varying resistance. After the coupling of SEI layer model to the 1-D electrochemical model, the results obtained from the simulation will be validated with the experimental results.

Original languageEnglish (US)
Title of host publication67th Annual Conference and Expo of the Institute of Industrial Engineers 2017
EditorsHarriet B. Nembhard, Katie Coperich, Elizabeth Cudney
PublisherInstitute of Industrial Engineers
Pages1193-1198
Number of pages6
ISBN (Electronic)9780983762461
StatePublished - 2017
Externally publishedYes
Event67th Annual Conference and Expo of the Institute of Industrial Engineers 2017 - Pittsburgh, United States
Duration: May 20 2017May 23 2017

Publication series

Name67th Annual Conference and Expo of the Institute of Industrial Engineers 2017

Conference

Conference67th Annual Conference and Expo of the Institute of Industrial Engineers 2017
Country/TerritoryUnited States
CityPittsburgh
Period5/20/175/23/17

Keywords

  • 1-D electrochemical model
  • Dynamical processes
  • Interfacial resistance
  • Kinetic Monte Carlo
  • Solid-Electrolyte Interface

ASJC Scopus subject areas

  • Industrial and Manufacturing Engineering

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