Lithium ion 1D simulation in Comsol

Produced by ; Mohammad Kooshki

Report date
Dec 20, 2021 12:23:19 AM

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Contents
1. Global Definitions................................................................................................................................
1.1. Parameters 1...............................................................................................................................................................
1.2. Variables.......................................................................................................................................................................
2. Component 1........................................................................................................................................
2.1. Geometry 1..................................................................................................................................................................
2.2. Materials.......................................................................................................................................................................
2.3. Lithium-Ion Battery...................................................................................................................................................
2.4. Mesh 1...........................................................................................................................................................................
3. Study 1..................................................................................................................................................
3.1. Current Distribution Initialization........................................................................................................................
3.2. Time Dependent........................................................................................................................................................
4. Results...................................................................................................................................................
4.1. Data Sets.......................................................................................................................................................................
4.2. Plot Groups..................................................................................................................................................................

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1 Global Definitions
Dat
Dec 20, 2021 12:21:37 AM
e

GLOBAL SETTINGS
Name Simulation of Lithiom ion 1D in Comsol.mph
C:\Users\Mohammad\Desktop\Battery simulation\Simulation of Lithiom ion 1D in
Path
Comsol.mph
COMSOL version COMSOL 5.3 (Build: 223)

USED PRODUCTS
COMSOL Multiphysics
Batteries & Fuel Cells
Module

1.1 PARAMETERS 1
PARAMETERS
Name Expression Value Description
Negative
rp_neg 12.5e-6[m] 1.25E−5 m
electrode radius
Positive
rp_pos 8e-6[m] 8E−6 m
electrode radius
T 25[degC] 298.15 K Temperature
Volume fraction
epss_pos 1 - epsl_pos -0.073 0.297 of positive
electrode
Volume fraction
of positive
epsl_pos 0.444 + 0.186 0.63
electolyte for
kathode
Volume fraction
epss_neg 1 - epsl_neg - 0.026 0.471 of negative
electrode
Volume fraction
of negative
epsl_neg 0.357 + 0.146 0.503
electolyte for
anode
initial
cl_0 2000[mol/m^3] 2000 mol/m³
concentration
initial
concentration for
cs0_neg 0.56*31507[mol/m^3] 17644 mol/m³
negative
electrode
cs0_pos 0.17*22860[mol/m^3] 3886.2 mol/m³ initial

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 Name Expression Value Description
concentration for
positive
electrode
rate constande
k_neg 4.4e-10[m/s] 4.4E−10 m/s of anode
reaction
rate constant of
k_pos 4.8e-10[m/s] 4.8E−10 m/s
kathode reaction
lenght of
L_neg 100[um] 1E−4 m negative
electrode
lenght of
L_sep 52[um] 5.2E−5 m
separator
length of
L_pos 183[um] 1.83E−4 m positive
electrode
i_1C 0.5[A/m^2] 0.5 A/m² initial current
rate of current
with
C_rate 1 1
concntration
corrolation
current density
i_app -i_1C*C_rate −0.5 A/m²
of application

1.2 VARIABLES

1.2.1 Variables 1
SELECTION
Geometric entity
Entire model
level

Name Expression Unit Description

deltai (i_app - 10) A/m²

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2 Component 1

2.1 GEOMETRY 1

Geometry 1

UNITS
Length unit m
Angular
deg
unit

2.2 MATERIALS

2.2.1 LiPF6 in 1:2 EC:DMC and p(VdF-HFP) (Polymer electrolyte, Li-ion

Battery)
T=25 C

1:2 EC/DMC by volume

Reference

M. Doyle, J. Newman, A.S. Gozdz, C.N. Schmutz, and J.M. Tarascon, “Comparison of Modeling Predictions
with Experimental Data from Plastic Lithium Ion Cells,” J. Electrochem. Soc., vol. 143, p. 1890, 1996.

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LiPF6 in 1:2 EC:DMC and p(VdF-HFP) (Polymer electrolyte, Li-ion Battery)

SELECTION
Geometric entity
Domain
level
Selection Domains 1–3

2.2.2 LMO Electrode, LiMn2O4 Spinel (Positive, Li-ion Battery)

vs Li/Li+, T=25 C

Eeq for fully lithiated at 0.995

Eeq for delithiated at 0.175

References

M. Doyle, J. Newman, A.S. Gozdz, C.N. Schmutz, and J.M. Tarascon, “Comparison of Modeling Predictions
with Experimental Data from Plastic Lithium Ion Cells,” J. Electrochem. Soc., vol. 143, p. 1890, 1996

V. Srinivasan and C.Y. Wang, "Analysis of Electrochemical and Thermal Behavior of Li-Ion Cells," J.
Electrochem. Soc., vol. 150, p. A98, 2003

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LMO Electrode, LiMn2O4 Spinel (Positive, Li-ion Battery)

SELECTION
Geometric entity
Domain
level
Selection No domains

2.2.3 Graphite Electrode, LixC6 MCMB (Negative, Li-ion Battery)

Eeq for fully lithiated at 0.98

Eeq for delithiated at 0

References

V. Srinivasan, and J. Newman, “Design and Optimization of a Natural Graphite/Iron Phosphate Lithium Ion
Cell,” J. Electrochem. Soc., vol. 151, p. 1530, 2004.

K. Kumaresan, G. Sikha, and R. E. White, “Thermal Model for a Li-Ion Cell,” J. Electrochem. Soc., vol. 155, p.
A164, 2008.

R. E. Gerver and J. P. Meyers, "Three-Dimensional Modeling of Electrochemical Performance and Heat

Generation of Lithium-Ion Betteries in Tabbed Planar Configurations", J. Electrochemical Soc., vol. 158, p.
A835, 2011

K. E. Thomas, and J. Newman, “Heats of mixing and of entropy in porous insertion electrodes,” J. Power
Sources., vol. 119-121, p. 844, 2003.

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 Graphite Electrode, LixC6 MCMB (Negative, Li-ion Battery)

SELECTION
Geometric entity
Domain
level
Selection No domains

2.3 LITHIUM-ION BATTERY

Lithium-Ion Battery

EQUATIONS

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FEATURES
Electrolyte 1
No Flux 1
Insulation 1
Initial Values 1
Porous Electrode (Positive)
Porous Electrode (Negative)
Electric Ground 1
Electrode Current Density 1

2.3.1 Electrolyte 1
EQUATIONS

2.3.2 No Flux 1
EQUATIONS

2.3.3 Insulation 1
EQUATIONS

2.3.4 Porous Electrode (Positive)

EQUATIONS

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Porous Electrode Reaction 1

EQUATIONS

2.3.5 Porous Electrode (Negative)

EQUATIONS

Porous Electrode Reaction 1

EQUATIONS

2.3.6 Electric Ground 1

EQUATIONS

2.3.7 Electrode Current Density 1

EQUATIONS

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2.4 MESH 1

Mesh 1

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3 Study 1
COMPUTATION INFORMATION
Computation
12 s
time
CPU Intel(R) Pentium(R) CPU G2020 @ 2.90GHz, 2 cores
Operating system Windows 7

3.1 CURRENT DISTRIBUTION INITIALIZATION

STUDY SETTINGS
Description Value
Include geometric
Off
nonlinearity

PHYSICS AND VARIABLES SELECTION

Physics interface Discretization
Lithium-Ion Battery
physics
(liion)

MESH SELECTION
Geometry Mesh
Geometry 1
mesh1
(geom1)

3.2 TIME DEPENDENT

Times Unit
range(0,1,16
min
)

STUDY SETTINGS
Description Value
Include geometric
Off
nonlinearity

PHYSICS AND VARIABLES SELECTION

Physics interface Discretization
Lithium-Ion Battery
physics
(liion)

MESH SELECTION
Geometry Mesh
Geometry 1
mesh1
(geom1)

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4 Results

4.1 DATA SETS

4.1.1 Study 1/Solution 1

SOLUTION
Descriptio
Value
n
Solution Solution 1
Component Save Point Geometry 1

Data set: Study 1/Solution 1

4.1.2 Study 1/Solution Store 1

SOLUTION
Descriptio
Value
n
Solution Solution Store 1
Component Save Point Geometry 1

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 Data set: Study 1/Solution Store 1

4.2 PLOT GROUPS

4.2.1 Boundary Electrode Potential vs Ground (liion)

Point Graph: Electric potential (V)

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 4.2.2 Average Electrode State-of-Charge (liion)

Global

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 4.2.3 Electrolyte Potential (liion)

Line Graph: Electrolyte potential (V)

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 4.2.4 Electrode Potential vs Ground (liion)

Line Graph: Electric potential (V)

4.2.5 Electrolyte Salt Concentration (liion)

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Line Graph: Electrolyte salt concentration (mol/m3)

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