Solubilities of Ethylene and Carbon Dioxide Gases in Lithium-Ion Battery Electrolyte

Mel Soto, Kae Fink, Christof Zweifel, Peter Weddle, Evan Spotte-Smith, Gabriel Veith, Kristin Persson, Andrew Colclasure, Bertrand Tremolet de Villers

Research output: Contribution to journalArticlepeer-review


During Li-ion battery operation, (electro)chemical side reactions occur within the cell that can promote or degrade performance. These complex reactions produce byproducts in the solid, liquid, and gas phases. Studying byproducts in these three phases can help optimize battery lifetimes. To relate the measured gas-phase byproducts to species dissolved in the liquid-phase, equilibrium proprieties such as the Henry's law constants are required. The present work implements a pressure decay experiment to determine the thermodynamic equilibrium concentrations between the gas and liquid phases for ethylene (C2H4) and carbon dioxide (CO2), which are two gases commonly produced in Li-ion batteries, with an electrolyte of 1.2 M LiPF6 in 3:7 wt/wt ethylene carbonate/ethyl methyl carbonate and 3 wt% fluoroethylene carbonate (15:25:57:3 wt% total composition). The experimentally measured pressure decay curve is fit to an analytical dissolution model and extrapolated to predict the final pressure at equilibrium. The relationship between the partial pressures and concentration of dissolved gas in electrolyte at equilibrium is then used to determine Henry's law constants of kC2H4= 2.0 x 10^4 kPa for C2H4 and kCO2 = 1.1 x 10^4 kPa for CO2. These values are compared to Henry's law constants predicted from density functional theory and show good agreement within a factor of 3.
Original languageAmerican English
Pages (from-to)2236-2243
Number of pages8
JournalJournal of Chemical and Engineering Data
Issue number6
StatePublished - 2024

NREL Publication Number

  • NREL/JA-5K00-87846


  • battery
  • carbon dioxide
  • electrolyte
  • energy storage
  • ethylene
  • gas solubility
  • lithium-ion
  • thermodynamics


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