Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 31100
CFD Analysis of Multi-Phase Reacting Transport Phenomena in Discharge Process of Non-Aqueous Lithium-Air Battery

Authors: Jinliang Yuan, Jong-Sung Yu, Bengt Sundén


A computational fluid dynamics (CFD) model is developed for rechargeable non-aqueous electrolyte lithium-air batteries with a partial opening for oxygen supply to the cathode. Multi-phase transport phenomena occurred in the battery are considered, including dissolved lithium ions and oxygen gas in the liquid electrolyte, solid-phase electron transfer in the porous functional materials and liquid-phase charge transport in the electrolyte. These transport processes are coupled with the electrochemical reactions at the active surfaces, and effects of discharge reaction-generated solid Li2O2 on the transport properties and the electrochemical reaction rate are evaluated and implemented in the model. The predicted results are discussed and analyzed in terms of the spatial and transient distribution of various parameters, such as local oxygen concentration, reaction rate, variable solid Li2O2 volume fraction and porosity, as well as the effective diffusion coefficients. It is found that the effect of the solid Li2O2 product deposited at the solid active surfaces is significant on the transport phenomena and the overall battery performance.

Keywords: Modeling, Transport Phenomena, computational fluid dynamics (CFD), multi-phase, lithium-air battery

Digital Object Identifier (DOI):

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2460


[1] J. Lu, L. Li, J. B. Park, Y. K. Sun, F. Wu and K. Amine, Aprotic and Aqueous Li−O2 Batteries, Chem. Rev., 114 (2014), pp. 5611−5640.
[2] G. Girishkumar, B. McCloskey, A. C. Luntz, S. Swanson and W. Wilcke, Lithium-Air Battery: Promise and Challenges, J. Phys. Chem. Lett., 1 (2010), pp. 2193–2203.
[3] J. Lu and K. Amine, Recent Research Progress on Non-aqueous Lithium-Air Batteries from Argonne National Laboratory, Energies, 6 (2013), pp. 6016-6044.
[4] A. Zahoor, M. Christy, Y. J. Hwang and K. S. Nahm, Lithium Air Battery: Alternate Energy Resource for the Future, J. Electrochem. Sci. Tech., 3 (2012), pp. 14-23.
[5] M. Park, K. Y. Kim, H. Seo, Y. E. Cheon, J. H. Koh, H. Sun and T. J. Kim, Practical Challenges Associated with Catalyst Development for the Commercialization of Li-air Batteries, J. Electrochem. Sci. and Tech., 5 (2014), pp. 1-18.
[6] J. Yuan, M. Rokni and B. Sundén, Buoyancy Effects on Developing Laminar Gas Flow and Heat Transfer in a Rectangular Fuel Cell Duct, Num. Heat Transfer: Part A: Applications, 39 (2001), pp. 801-822.
[7] J. Yuan and B. Sunden, On Continuum Models for Heat Transfer in Micro/Nano-scale Porous Structures Relevant to Fuel Cells, Int. J. Heat Mass Transfer, 58 (2013), pp. 441-456.
[8] J. Yuan and B. Sundén, On Mechanisms and Models of Multi-component Gas Diffusion in Porous Structures of Fuel Cell Electrodes, Int. J. Heat Mass Transfer, 69 (2014), pp.358-374.
[9] J. Read, K. Mutolo, M. Ervin, W. Behl, J. Wolfenstine, A. Driedger and D. Foster, Oxygen Transport Properties of Organic Electrolytes and Performance of Lithium/Oxygen Battery, J. Electrochem. Soc., 150 (2003), pp. A1351-A1356.
[10] S. S. Sandhu, J. P. Fellner and G. W. Brutchen, Diffusion-limited Model for a Lithium/Air Battery with an Organic Electrolyte. J. Power Sources, 164 (2007), pp. 365-371.
[11] J. Yuan, J.-S. Yu and B. Sundén, Review on Mechanisms and Continuum Models of Multi-phase Transport Phenomena in Porous Structures of Non-aqueous Li-Air Batteries, to be submitted.
[12] X. Li and A. Faghri, Optimization of the Cathode Structure of Lithium-Air Batteries Based on a Two-dimensional, Transient, Non-isothermal Model, J. Electrochem. Soc., 159 (2012), pp. A1747-A1754.
[13] P. Tan, Z. Wei, W. Shyy and T. S. Zhao, Prediction of the Theoretical Capacity of Non-aqueous Lithium-air Batteries, Applied Energy, 109 (2013), pp. 275-282.
[14] U. Sahapatsombut, H. Cheng and K. Scott, Modelling the Micro-macro Homogeneous Cycling Behaviour of a Lithium-air Battery, J. Power Sources, 227 (2013), pp. 243-253.
[15] K. Yoo, S. Banerjee and P. Dutta, Modeling of Volume Change Phenomena in a Li-air Battery, J. Power Sources, 258 (2014), pp. 340-350.
[16] P. Andrei, J. P. Zheng, M. Hendrickson and E. J. Plichta, Modeling of Li-Air Batteries with Dual Electrolyte, J. Electrochem. Soc., 159 (2012), pp. A770-A780.
[17] P. Albertus, G. Girishkumar, B. McCloskey, R. S. Sánchez-Carrera, B Kozinsky, J. Christensen and A. C. Luntz, Identifying Capacity Limitations in the Li/Oxygen Battery Using Experiments and Modeling, J. Electrochem. Soc., 158 (2011), pp. A343-A351.
[18] M. Mehta, V. V. Bevara, P. Andrei and J. Zheng, Limitations and Potential Li-Air Batteries: a Simulation Prediction, The International Conference on Simulation of Semiconductor Processes and Devices ( SISPAD), Sept. 5-7, 2012, Denver, CO, USA.
[19] H. K. Versteeg and W. Malalasekera, An Introduction to Computational Fluid Dynamics, the Finite Volume Method, 2nd edition, Pearson Education Limited, Essex, England, 2007.
[20] B. Sundén, M. Rokni, M. Faghri and D. Eriksson, The Computer Code SIMPLE_HT for the course Computational Heat Transfer, Lund University, 2004.