CFD Analysis of Multi-Phase Reacting Transport Phenomena in Discharge Process of Non-Aqueous Lithium-Air Battery
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.
[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.
[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.
@article{"International Journal of Electrical, Electronic and Communication Sciences:69213", author = "Jinliang Yuan and Jong-Sung Yu and Bengt Sundén", title = "CFD Analysis of Multi-Phase Reacting Transport Phenomena in Discharge Process of Non-Aqueous Lithium-Air Battery", abstract = "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 = "Computational Fluid Dynamics (CFD), Modeling,
Multi-phase, Transport Phenomena, Lithium-air battery.", volume = "9", number = "3", pages = "283-9", }
