Sabine Arnold, Tam Nguyen, Sabine Arnold, Tam Nguyen, Sabine Arnold, Tam Nguyen, Sabine Arnold, Tam Nguyen, RagavendraRagavendraRagavendraRagavendra Arunachala, Andreas JossenArunachala, Andreas JossenArunachala, Andreas JossenArunachala, Andreas Jossen
Study of Inhomogeneity in Large Format Li-Ion Cells
with different Multiphysics Models
Study of Inhomogeneity in
Large Format Li-Ion Cells with
different Multiphysics Models
Why Battery Cell Simulation
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• Understanding of battery
characteristics
• Insight into experimentally hard
to determine data
• Design of new cells:
• Easier
• Cheaper
• Safer
• Reduce time to market
Outline
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• Motivation
• Modelling Theory
• Experiment and
Model Validation
• Results & Discussion
• Conclusion & Outlook
Electrochemical Model
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Cathode Anode
Solid-state
diffusion
Reaction
kinetics
Charge
transfer
Solid-state
diffusion
Reaction
kinetics
Charge
transfer
Mass -
transport
Electrochemical potential
Electrochemical Model
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Layer Level
Reaction kinetics
Local current density
Electrode Potential
Electrolyte Potential
Ion transport in electrolyte
Ion transport in electrodes
Governing equationsGoverning equationsGoverning equationsGoverning equations
Anode: LixC6
Cathode: Lix(NikMnlCo1-k-l)O2
Electrolyte: LiPF6/EC/EMCCurrent Collectors: Al+/Cu-63Ah; 4.2V@SOC = 100%
LiLiLiLi----ion Pouch Cell Propertiesion Pouch Cell Propertiesion Pouch Cell Propertiesion Pouch Cell Properties TTTT---- & SOC& SOC& SOC& SOC----dependenciesdependenciesdependenciesdependencies
Thermal Model
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�����
��� �∆� � �
� � � ��� � ����
� ��� � ����������� ���� ��
���∆�
Energy balanceEnergy balanceEnergy balanceEnergy balance
Irreversible/ohmic heat Irreversible/entropic heat
Heat generation
Different Model Scales and Dimensions
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1D Newman 3D electrode
sandwich
Full 3D Model
(fully coupled and purely thermal)
Solver Settings
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Expected inhomogeneity Expected inhomogeneity Expected inhomogeneity Expected inhomogeneity
in domains in domains in domains in domains
� No average coupling
� Identity mapping
coupling operator
Highly nonlinear governing Highly nonlinear governing Highly nonlinear governing Highly nonlinear governing
equationsequationsequationsequations
� Relative tolerance:
1e-4
� Manually scaled
dependent variables
� Nonlinear method:
Constant (Newton),
Jacobian update on
every iteration
Full 3D and 3D ES CouplingFull 3D and 3D ES CouplingFull 3D and 3D ES CouplingFull 3D and 3D ES Coupling
Mesh
10
Mesh elementsMesh elementsMesh elementsMesh elements
1D Newman1D Newman1D Newman1D Newman 48
3D ES3D ES3D ES3D ES 5448
Full 3DFull 3DFull 3DFull 3D 195932
Thermal 3DThermal 3DThermal 3DThermal 3D 322524
Experiment and Validation
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CommandCommandCommandCommand ParameterParameterParameterParameter LimitLimitLimitLimit
Charge I = 1CA
U = 4.2 V
I< 0.05 CA
Pause 3 h
Discharge I = 0.5, 1, 2, 3 C
U= 2.7 V
I < 0.05 CA
Temperature T = 15, 25 & 40°C
Surface Temperature Distribution
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Surface measurement
Full 3Dcoupled
Full 3Dpurely
thermal
Normalized Current Distribution at t=1150s
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[A/m2]
Full 3D coupledcenter anode
Full 3D coupledtop cathode
3D electrode sandwichadiabatic discharge
anode
Cross Plane Temperature Distribution at end of 3C discharge
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[°C]
with bottom cooling plate Convection boundary conditions
Computation
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Solution Solution Solution Solution
time [s]time [s]time [s]time [s]
Physical Physical Physical Physical
memory memory memory memory
[GB][GB][GB][GB]
Virtual Virtual Virtual Virtual
memory memory memory memory
[GB][GB][GB][GB]
Mesh Mesh Mesh Mesh
elementselementselementselements Model added valueModel added valueModel added valueModel added value GeometryGeometryGeometryGeometry
1D 1D 1D 1D
NewmanNewmanNewmanNewman 85 1.1 1.24 48
+ fast validation
electrochemical model
3D ES3D ES3D ES3D ES 1554 3.3 3.69 5448
+ in plane temperature and
current distribution
+ sufficient for adiabatic
conditions (coupled model
validation)
+ 10x faster than full model
Full 3DFull 3DFull 3DFull 3D 28097 70.44 75.94 195932
+ cross- and in- plane
temperature and current
distribution
Thermal Thermal Thermal Thermal
3D3D3D3D 28322 77.34 78 322524
- temperature only
- assumes uniform current
distribution
+ considers temperature
dependency of internal
resistance
Conclusion
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Simulation Models Simulation Models Simulation Models Simulation Models
provide hard to measure provide hard to measure provide hard to measure provide hard to measure
informationinformationinformationinformation:
• Cross plane
temperature
• Current distribution
• Inhomogeneity in Inhomogeneity in Inhomogeneity in Inhomogeneity in
current and current and current and current and
temperature cause temperature cause temperature cause temperature cause
• accelerated ageing
• performance
reduction
• safety issues
References
M. Doyle, T.F. Fuller, J. Newman, Modeling of Galavanostatic Charge and Discharge of of the Lithium/Polymer/Insertion Cell, J. Electrochem. Soc.,
140140140140, 1526-1533 (1994)
J. Newman, K.E. Thomas-Alyea, Electrochemical Systems, 535ff. John Wiley & Sons Inc., Hoboken, New Jersey (2004)
D. Bernardi, G. Pawlikowski, J.Newman; A General Energy Balance for Battery Systems; J. Electrochem. Soc., 132132132132, 5-12 (1985)
P. J. Osswald, S. V. Erhard, J. Wilhelm, H. E. Hoster, and A. Jossen, Simulation and Measurement of Local Potentials of Modified Commercial
Cylindrical Cells: I. Cell Preparation and Measurements, J. Electrochem. Soc. 162(10)162(10)162(10)162(10), A2099-A2105, (2015)
C. Wang V. Srinivasan, Computational battery dynamics (CBD)–electrochemical/ thermal coupled modeling and multi-scale modeling, Journal of
power sources, 110110110110, no. 2, 364–376 (2002)
V. Srinivasan, C. Wang, Analysis of Electrochemical and Thermal Behavior of Li-Ion Cells, J. Electrochem. Soc., 150150150150, (1) A98-A106 (2003)
G.-H. Kim, A. Pesaran, and R. Spotnitz, A three-dimensional thermal abuse model for lithium-ion cells, Journal of Power Sources, 170, no. 2, 476-
489, (2007)
R. Arunachala, S. Arnold, L. Moraleja, T. Pixis, A. Jossen, J. Garche; 2015; Influence of Cell Size on Performance of Lithium Ion Battery; Oral
presentation at Advanced Battery Power Conference Aachen (2015)
S. G. Stewart, V. Srinivasan, J. Newman, Modeling the Performance of Lithium-Ion Batteries and Capacitors during Hybrid-Electric-Vehicle
Operation, J. Electrochem. Soc., 155155155155, (9) A664-A671 (2008)
M. Ecker, S. Käbitz, I. Laresgoiti, D. U. Sauer, Parameterization of a Physico-Chemical Model of a Lithium-Ion Battery, J. Electrochem. Soc., 162162162162, (9)
A1849-A1857 (2015)
L. O. Valǿen, J. N. Reimers, Transport Properties of LiPF6-Based Li-Ion Battery Electrolytes, J. Electrochem. Soc., 152152152152, (5) A882-A891 (2005)
M. Safari, C. Delacourt, Modeling of a Commercial Graphite/LiFePO4 Cell, J. Electrochem. Soc., 158,158,158,158, (5) A562-A571 (2011)
S. Du, M. Jia, Y. Cheng, Y. Tang, H. Zhang, L. Ai, K. Zhang, Y. Lai, Study on the thermal behaviors of power lithium iron phosphate (LFP)aluminum-
laminated battery with different tab configurations, International Journal of Thermal Sciences, 89,89,89,89, 327-336 (2015)
A. Nyman, M. Behm, G. Lindbergh, Electrochemical characterisation and modelling of the mass transport, Electrochimica Acta, 53,53,53,53, 356–6365 (2008)
T.G. Zavalis, M. Behm, G. Lindberg, Investigation of Short-Circuit Scenarios in a Lithium-Ion Battery Cell, J. Electrochem. Soc., 159159159159, (6) A848-A859
(2012)
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Summary
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Solution Solution Solution Solution
time [s]time [s]time [s]time [s]
Physical Physical Physical Physical
memory memory memory memory
[GB][GB][GB][GB]
Virtual Virtual Virtual Virtual
memory memory memory memory
[GB][GB][GB][GB]
Mesh Mesh Mesh Mesh
elementselementselementselements Model added valueModel added valueModel added valueModel added value GeometryGeometryGeometryGeometry
1D 1D 1D 1D
NewmanNewmanNewmanNewman 85 1.1 1.24 48
+ fast validation
electrochemical model
3D ES3D ES3D ES3D ES 1554 3.3 3.69 5448
+ in plane temperature and
current distribution
+ sufficient for adiabatic
conditions (coupled model
validation)
+ 10x faster than full model
Full 3DFull 3DFull 3DFull 3D 28097 70.44 75.94 195932
+ cross- and in- plane
temperature and current
distribution
Thermal Thermal Thermal Thermal
3D3D3D3D 28322 77.34 78 322524
- temperature only
- assumes uniform current
distribution
+ considers temperature
dependency of internal
resistance