3D Cell Design Capability User Guide 2310
3D Cell Design Capability User Guide 2310
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Contents
In rapidly changing technology for energy sources, electric vehicles, and portable electronics, batteries play an
important role due to their efficient energy storage and release capabilities. Engineers now face the challenge
of creating reliable, long-lasting, high-performance, and safe battery packs.
For effective analysis of a battery cell, it is essential to use multi-physics models that consider the three-
dimensional electrochemical processes and precise geometric representations of the battery cell.
The Simcenter STAR-CCM+ 3D Cell Design Capability is a simulation template that uses 3D physics-based
electrochemical models to simulate high-performance lithium-ion battery cells. These models account for the
movement of charged particles within porous electrodes, intercalation reactions, charge transfer reactions,
internal particle diffusion, and the influence of temperature on transport properties. The simulation template
uses a detailed 3D geometrical representation of electrode layers, separators, and tabs.
The Simcenter STAR-CCM+ 3D Cell Design Capability provides a customized tree structure that categorizes and
groups relevant pre-defined parameters for the battery cell geometry, meshing, physics, solution methods, and
post-processing. This structure streamlines the process of customizing the template for a new battery
simulations, where parameters are easily modified to align with any specific battery cell.
The simulations are conducted based on a duty cycle approach, allowing for charge and discharge processes
that are driven by either current or power. Example duty cycle tables for constant current charge/discharge are
provided with the template package.
The template provides extensive post-processing with pre-defined plots and scenes for analyzing the battery
simulation results. It offers a comprehensive solution for battery cell designers and enhances battery pack
thermal analysis, battery cooling, thermal runaway assessment, and battery system integration.
Contents:
Accessing the Simcenter STAR-CCM+ 3D Cell Design Capability
Preparing the Geometry
Generating the Battery Cell Mesh
Setting up the Physics
Running the Simulation
Analyzing the Results
Accessing the
Simcenter STAR-CCM+ 3D Cell Design Capability
The Simcenter STAR-CCM+ 3D Cell Design Capability is available from the Simcenter STAR-CCM+ Support
Center directory.
Note: Simcenter STAR-CCM+ 3D Cell Design Capability requires a batterysim license feature in addition
to the other license features.
b) In the middle selection column, click next to Simcenter STAR-CCM+ 2310 - 3D Cell
Design Capability Stack Template.zip and unpack to your chosen working folder.
To start a simulation:
The Simcenter STAR-CCM+ 3D Cell Design Capability stack cell template provides a simulation guide—an
embedded document with guidance information on how to use the template.
Preparing the battery cell geometry involves defining the physical dimensions, structure, and placement of the
components for the battery pouch (stack) cell simulation.
The Simcenter STAR-CCM+ 3D Cell Design Capability stack cell template provides pre-defined geometric
parameters that are set to default values.
The following images provide a description of the geometry and the available parameters that are defined in
the Simcenter STAR-CCM+ 3D Cell Design Capability stack cell template.
You configure a single plate, the total number of plates is defined when you configure the cell assembly. The
dimensions of the electrode are specified in relation to the separator dimensions. You define the positive
electrode and the negative electrode independently, but the procedure is the same for both.
3. Expand the Positive Electrode/Negative Electrode group and edit the following parameters:
◦ Positive_Coating_Thickness/Negative_Coating_Thickness
◦ PositiveCollector Thickness/Negative_Collector_Thickness
◦ Positive_Height_Margin/Negative_Height_Margin—the positive/negative electrode is centered
with respect to the separator and applies the same margin at the top and bottom of the positive/
negative electrode.
The location of the tabs on each electrode is determined by an offset from the separator centerline. The
parameters are designed to prevent the tab dimensions from exceeding the dimensions of the electrodes.
4. To define the tabs geometry, expand the Tabs group and set the following parameters:
◦ Negative_Tab_Offset—set in +X direction. A value of zero suggests that the tab is centered with
the negative electrode.
◦ Negative_Tab_Width
◦ Positive_Tab_Offset—set in +X direction. A value of zero suggests that the tab is centered with the
positive electrode.
◦ Positive_Tab_Width
◦ Tabs_Height—is equally divided between the pinch and weld. The current design in the template
places the weld at the bottom of the battery cell.
◦ Tabs_Pinch_Height
Refer to the Simulation Guide for examples on tab offset settings.
As the separator layer is used as a reference for the electrode dimensions, it is always larger than the
electrodes.
5. To define the separator geometry, expand the Separator group and set the following parameters:
◦ Separator_Height
◦ Separator_Thickness
◦ Separator_Width
After you have set the geometrical dimensions, you select the total number of electrodes and set the sequence
for configuring the electrodes in the stack.
6. To configure the stack, expand the Cell Assembly group and set the following parameters:
◦ End_Electrodes_Pattern_A-B_or_A-B-A—for the A-B pattern, the stack starts and ends with
different polarities. For the A-B-A pattern, the stack starts and ends with the same polarity.
◦ Total Number of Double-Coated Electrodes—the number of layers for a given polarity. For
example, if you select 10 electrodes, the cell assembly with A-B pattern has 5 double-coated
positive and 5 double-coated negative electrodes. However, if you start with a negative electrode
and an A-B-A pattern, the battery cell will have 5 positive electrodes and 6 negative electrodes.
The number of separators in the cell is equal to the total number of electrodes + 1, that is, there is a
separator layer between adjacent electrodes and an additional separator at either end of the stack.
7. To define the stack package foil geometry that encloses the battery cell assembly, expand the Stack
Package Foilgroup and set the following parameters:
◦ Package_Foil_Radius
◦ Package_Foil_Thickness
When the battery cell configuration is modified, a caution symbol appears on the CAD Status node. To update
the battery stack cell geometry, you activate and run the Update CAD simulation operation sequence.
The Simcenter STAR-CCM+ 3D Cell Design Capability stack cell template provides pre-defined global and local
mesh refinement parameters for discretizing the battery cell.
The template uses directed meshing for discretizing the battery cell. Directed meshing sweeps the mesh from
the surface of the geometry through its volume based on a specified mesh base size and a number of mesh
layers for each component. A volume mesh pattern is then used to replicate the single plate mesh across the
entire cell assembly. This ensures consistent meshing throughout the cell.
You use the Mesh custom tree to specify the mesh settings and pattern for the battery stack cell components.
1. In the Pouch Cell Template view, right-click the Mesh custom tree and select Open.
2. In the Mesh custom tree, right-click the Cell Mesh Visualization layout view and select Open.
A selection of scenes that display the mesh of the cell from different perspectives open in the Graphics
window.
You specify an overall mesh base size and the number of mesh layers for each component. Local mesh
refinement (applied in all directions) is available for the tabs mesh only.
3. Set the Mesh Base Size that applies to all battery cell components.
4. Expand the following groups in turn and specify the number of mesh layers for each of them:
◦ Positive Electrode
◦ Negative Electrode
◦ Separator
◦ Package Foil
5. Expand the Tabs group and specify Mesh_Refinement_For_Tabs and Number of volume cells in tab
height
When parameters of the battery cell mesh are modified, a caution symbol appears on the Mesh Status node
which indicates that the mesh is no longer up to date and requires re-execution. To update the battery stack
cell mesh, you activate and run the Update Mesh simulation operation sequence.
6. Right-click the Update Mesh simulation operation and select Activate.
7. To run the operation sequence, right-click the Update Mesh simulation operation and select Play/
Resume Simulation Operations.
After the simulation operation has finished, the mesh is updated. The Cell Mesh Visualization scenes
update to reflect the changes to the mesh. The following screenshot shows an example battery mesh
with tab refinement.
8. You can use the Representations > Volume Mesh node to assess the number of volume cells in the
mesh.
The Simcenter STAR-CCM+ 3D Cell Design Capability stack cell template provides the physics models for
advanced 3D modeling of the electrochemical processes occurring in a lithium ion battery cell.
The physics models in the template account for the movement of charged particles within porous electrodes,
intercalation reactions, charge transfer reactions, internal particle diffusion, and the influence of temperature
on transport properties.
The template uses the Concentrated Electrolyte model for the electrolyte transport and the Sub-grid Particle
Intercalation model for the storage and transport of lithium atoms in the electrodes host solid phases. The
Concentrated Electrolyte model requires the Electrodynamic Potential model to determine the electric
potential and current in the electrolyte regions.
The Sub-grid Particle Intercalation model resolves electrochemical reactions on geometrically unresolved
surfaces. It assumes that the active material is composed of spherically shaped particles into which lithium
atoms can diffuse. The vacancies within the active electrode material are defined by using the Porous Media
model and the electrochemical reactions are defined by the Electrochemical Reactions model.
For more information on the physics models, see the Simcenter STAR-CCM+ User Guide:
• Home > Physics Simulation > Electrochemistry > Battery Cells > Battery Cells Reference.
• Home > Physics Simulation > Electrochemistry > Electrochemical Surface Reactions >
Electrochemical Surface Reactions Reference > Reacting Surface Model Reference.
• Electrolyte
• OCV and SOC
The following steps are followed for defining the parameters that are available within the Physics custom tree.
Contents:
Defining the Battery Cell Electrodes
Defining the Current Collectors and Tabs, the Separator, and the Electrolyte
Specifying the SOC
Defining the battery cell electrodes involves setting up the equilibrium potential curves, specifying the
electrode formulation (materials and weight fractions), and the electrode kinetics.
The Simcenter STAR-CCM+ 3D Cell Design Capability stack cell template provides pre-defined electrode
formulation parameters (materials and conditions) for the active materials, conductors, and binders.
The Simcenter STAR-CCM+ 3D Cell Design Capability stack cell template uses half-cell equilibrium potential
curves for the electrode active material potential changes relative to their concentration in the cell. The tables
are specified in the following format:
6. To define the positive electrode equilibrium potential curves, select the Positive Electrode Formulation
> Equilibrium Potential Positive node and, using the (Custom Editor), navigate to the desired folder
and select your equilibrium potential positive curve.
7. To define the negative electrode equilibrium potential curves, select the Negative Electrode
Formulation > Equilibrium Potential Negative node and, using the (Custom Editor), navigate to
the desired folder and select your equilibrium potential negative curve.
8. You can use the Physics > Voltage Equilibrium Curves layout view to examine your electrode
equilibrium potential plots.
9. (Optional) To assess the physics models used to model the electrodes, or to define any of the parameters
as field functions or tables, use the following groups:
◦ Positive Electrode Conductor Definition
◦ Positive Electrode Binder Definition
◦ Positive Electrode Active Material Definition
◦ Negative Electrode Conductor Definition
◦ Negative Electrode Binder Definition
◦ Negative Electrode Active Material Definition
For further information on defining the electrodes, see Positive Electrode Formulation Reference and Negative
Electrode Formulation Reference.
The Simcenter STAR-CCM+ 3D Cell Design Capability stack cell template provides pre-defined material
parameters with default values for the current collectors and tabs, the separator, and the electrolyte.
In the template, the electrolyte is a combination of lithium/salt and solvent, the separator is a porous solid
phase, and the current collectors and tabs are defined as solids.
You use the Physics custom tree to define the positive and negative collectors and tabs, the separator, and the
electrolyte.
If you have an electrolyte database available, you can replace the salt in the electrolyte mixture.
4. (Optional) To replace the salt from your database, right-click the Liquid ComponentsLiClO4 PC DME 1 1
node, select Replace with... and then select a replacement material from the list in the Replace Mixture
Component dialog and click OK.
The state of charge (SOC) indicates the current energy level or capacity of a battery as a percentage of its
maximum capacity.
You specify the maximum/minimum voltage limits (corresponding to 100% and 0% state of charge) and the
initial charge of the battery cell, represented on a scale from 0 (complete discharge) to 1 (full charge).
The template uses the initial electrode stoichiometry, voltage limits, initial state of charge, and electrode
masses to compute the open circuit voltages within the specified voltage limits.
You use the Physics custom tree to specify the SOC.
1. In the Physics custom tree, right-click the OCV and SOC custom tree and select Open.
2. In the OCV and SOC custom tree, specify the SOC limits and the initial charge of your battery cell. For
further information, see OCV and SOC Reference.
To compute the open circuit voltages, you activate and run the Initialize SOC simulation operation sequence.
The following screenshot shows the OCV vs Absolute Capacity template pre-defined plot. This displays
an example of the computed open circuit voltages relative to the lithium ion concentration after running
the Initialize SOC simulation operation.
To run battery stack cell simulations, an input duty cycle is required to specify the operating conditions and
parameters for the charge-discharge cycles.
The Simcenter STAR-CCM+ 3D Cell Design Capability stack cell template uses an Input Duty Cycle table that
defines the operational parameters for running the battery simulation. Within this table, you configure
stopping criteria, current, power, or voltage settings.
You use the Solve custom tree to specify the duty cycle and run the battery simulation.
1. In the Pouch Cell Template view, right-click the Solve custom tree and select Open.
2. In the Solve custom tree, select the Global Initial Temperature parameter and specify the initial
temperature of the battery cell.
The Simcenter STAR-CCM+ 2310 - 3D Cell Design Capability Stack Template.zip package
contains example input duty cycle tables to set up constant current charge/discharge simulations. Navigate to
the template download directory and copy the Input Duty Cycle file that you find relevant.
3. Select the Input Duty Cycle table and, using the (Custom Editor), navigate to the folder of your input
duty cycle table, select the input duty cycle file and click Open.
For details on the input duty cycle procedures, see Solve Reference.
After you have defined your operating conditions, the simulation can be run. You run the simulation by
activating and running the Duty Cycle Sim Op simulation operation sequence.
4. Right-click the Duty Cycle Sim Op simulation operation and select Activate.
5. To run the operation sequence, right-click the Duty Cycle Sim Op simulation operation and select Play/
Resume Simulation Operations.
The simulation continues until the criteria that are specified on Input Duty Cycle are met.
Once the simulation has finished running, you can analyze the results by using the available post-processing
functionalities.
1. In the Pouch Cell Template view, right-click the Post Process custom tree and select Open.
2. In the Post Process custom tree, right-click the Thermal Analysis custom tree and select Open.
A selection of scenes and plots that display the temperature distribution, or the total heat that is
generated by the battery cell are available. For further information on thermal analysis post-processing
parameters, see Thermal Analysis Reference.
3. In the Post Process custom tree, right-click the Electrochemical Analysis custom tree and select Open.
4. In the Electrochemical Analysis custom tree, right-click the Electric Current Densities layout view and
select Open.
The following screenshot shows an example of the electric current densities distribution scenes available
in the template.
5. Select the following custom trees to review the battery cell electrochemical behaviour, for example,
lithium/salt concentration in the active materials, or the electric potential.
◦ Molar Concentration Negative Active Material
◦ Molar Concentration Positive Active Material
◦ line section Li+ concentration plots
◦ Electric Potential
For further information, see Electrochemical Analysis Reference.
To examine the voltage, current and cell capacity of the battery cell:
6. In the Post Process custom tree, right-click the Analyze Duty Cycle custom tree and select Open.
7. In the Analyze Duty Cycle custom tree open the plots for battery cell duty cycle, voltage, current and
capacity. For more information, see Analyze Duty Cycle Reference.
This section provides descriptions for the parameters that are available within the
Simcenter STAR-CCM+ 3D Cell Design Capability.
Contents:
Pouch Cell Template View Reference
Geometry Reference
Mesh Reference
Physics Reference
Solve Reference
Post Process Reference
The Simcenter STAR-CCM+ 3D Cell Design Capability Pouch Cell Template provides the main workflow to guide
you through the setup of battery stack (pouch) cell simulations.
Summary Report
When you right-click the Summary Report and select Open Summary, provides an overview of the battery cell
design results, stack general metrics, electrode formulation, and stack assembly information. A summary
report for some parts of the simulation that are of main interest. Use this node to output a simulation summary
report for the stack general metrics and layout results, and the electrodes formulation.
Geometry Reference
The Geometry custom tree allows you to modify the physical dimensions of a battery stack (pouch) cell
geometry.
Positive Electrode
The Positive Electrode group allows you to specify the dimensions of an individual plate of the positive
electrode in a battery stack cell.
Positive_Coating_Thickness
Specifies the thickness for the positive electrode coating layer.
Positive_Collector_Thickness
Specifies the thickness for the positive electrode current collector layer.
Positive_Height_Margin
Specifies the height margin for the positive electrode in relation to the separator height. In the
Simcenter STAR-CCM+ 3D Cell Design Capability stack template the positive electrode is always centered
with respect to the separator and applies the same margin at the top and bottom of the positive electrode.
Positive_Width_Margin
Specifies the width margin for the positive electrode in relation to the separator height. In the
Simcenter STAR-CCM+ 3D Cell Design Capability stack template the positive electrode is always centered
with respect to the separator and applies the same margin at the left and right side of the positive
electrode.
Negative Electrode
The Negative Electrode group allows you to specify the dimensions of a single plate of the negative electrode
in a battery stack cell.
Negative_Coating_Thickness
Specifies the thickness for the negative electrode coating layer.
Negative_Collector_Thickness
Specifies the thickness for the negative electrode current collector layer.
Negative_Height_Margin
Specifies the height margin for the negative electrode in relation to the separator height. In the
Simcenter STAR-CCM+ 3D Cell Design Capability stack template the negative electrode is always centered
with respect to the separator and applies the same margin at the top and bottom of the negative electrode.
Negative_Width_Margin
Specifies the width margin for the negative electrode in relation to the separator height. In the
Simcenter STAR-CCM+ 3D Cell Design Capability stack template the negative electrode is centered with
respect to the separator and applies the same margin at the left and right side of the negative electrode.
Tabs
The Tabs group allows you to specify the dimensions of the tabs for a single plate of the negative and positive
electrode in a battery stack cell.
Negative_Tab_Offset
Specifies the offset between the center of the tab to the center of the negative electrode, in +X direction. A
value of zero means that the tab is centered with the negative electrode.
Negative_Tab_Width
Specifies the width of the negative electrode tab.
Positive_Tab_Offset
Specifies the offset between the center of the tab to the center of the positive electrode, in +X direction. A
value of zero means that the tab is centered with the positive electrode.
Positive_Tab_Width
Specifies the width of the positive electrode tab.
Tabs_Height
Specifies the tab height for the negative and positive electrode tabs. The tabs height is equally divided
between the pinch and weld. The current design in the template places the weld at the bottom of the
battery cell.
Tabs_Pinch_Height
Specifies the height of the pinched tabs area.
Separator
The Separator group allows you to specify the dimensions of an individual plate of the separator in a battery
stack cell.
Separator_Height
Specifies the height of the separator, which is used as the reference for calculating the electrode heights.
Separator_Thickness
Specifies the thickness of the separator.
Separator_Width
Specifies the width of the separator.
Cell Assembly
The Cell Assembly group allows you to configure the stacking of electrodes.
End_Electrodes_Pattern_A-B_or_A-B-A
Controls the sequence for configuring the negative and positive electrodes in the stack. You can specify a
value of 0 or 1 for this dimensionless parameter.
A value of 0 corresponds to the A-B pattern, which means that the stack is starting and ending with
different polarities. A value of 1 corresponds to the A-B-A pattern, which means that the stack is starting
and ending with the same polarity.
Opposite_Tab_Design
Specifies the orientation of the electrode tabs.
You can specify a value of 0 or 1 for this dimensionless parameter.
A value of 0 signifies that the tabs are oriented to be on the same side. A value of 1 signifies that the tabs
are on the opposite side of the battery cell.
Starting_Electrode_Negative_or_Positive
Specifies the order in which the electrodes start within the battery stack.
You can specify a value of 0 or 1 for this dimensionless parameter.
A value of 0 means that the stacking starts with a negative electrode under the positive z component. A
value of 1 means that the stacking starts with a positive electrode under the positive z component.
Package_Foil_Radius
Specifies the radius of the battery cell package foil at the round corners.
Package_Foil_Thickness
Specifies the thickness for the battery cell assembly package foil.
Update CAD
A simulation operation sequence that updates the simulation operations that interact with geometry control
features in Simcenter STAR-CCM+ 3D Cell Design Capability stack template. You activate and run the Update
Cad simulation operation sequence to update the geometry after any modifications are made.
CAD Status
Provides the geometry status for the battery cell. When the configuration of a battery cell element is modified,
a caution symbol appears on the CAD Status node to indicate the changes.
Mesh Reference
The Mesh custom tree allows you to define and control the volumetric discretization of the battery stack
(pouch) cell domain.
Positive Electrode
The Positive Electrode group allows you to specify the mesh settings of a single plate of the positive electrode
in a battery stack cell.
Negative Electrode
The Negative Electrode group allows you to specify the mesh settings of a single plate of the negative
electrode in a battery stack cell.
Tabs
The Tabs group allows you to specify the mesh refinement and settings of a single plate of the negative and
positive electrode tabs in a battery stack cell.
Mesh_Refinement_For_Tabs
Specifies the mesh local refinement level near the tabs. The mesh refinement for the tabs is specified as a
percentage of the Mesh Base Size.
Separator
The Separator group allows you to specify the mesh settings of a single plate of the separator in a battery
stack cell.
Update Mesh
A simulation operation sequence that re-generates the volume mesh of the battery cell.
Mesh Status
Provides the status of the battery cell mesh. A caution icon appears on the Mesh Status node which indicates
that geometry or mesh parameters have been modified and the mesh must be re-generated.
Representations
Lists all the different representations of the model: geometry, surface mesh or volume mesh. Use the Volume
Mesh representation node to assess the number of cells in the mesh.
Physics Reference
The Physics custom tree provides you with the models to simulate the three-dimensional electrochemical
processes within battery stack (pouch) cell.
The selected models and their pre-defined parameters account for the material properties and conditions of all
the relevant battery components. These include electrode equilibrium voltage curves, state of charge (SOC)
conditions, and electrochemical reactions and charge transfer processes at the electrode-electrolyte interface.
This section provides descriptions for the parameters that are available within the Physics custom tree.
Contents:
Positive Electrode Formulation Reference
Negative Electrode Formulation Reference
Current Collectors and Tabs Reference
Separator Reference
Electrolyte Reference
OCV and SOC Reference
The Physics > Positive Electrode Formulation custom tree allows you to modify the battery stack (pouch)
positive electrode formulation.
1-Formulation
bruggeman parameters Alpha pos electrode
to model tortuosity / The coefficient for the Bruggeman method, used to calculate the positive
porosity correlation electrode effective electrical conductivity.
a pos electrode
A pre-exponential factor for the Bruggeman method.
b pos electrode
The exponent factor for the Bruggeman method.
The tortuosity for the positive coating, computed as τ = aχ−b. Where a is the a
pos electrode parameter, χ is the positive coating porosity, and b is b pos
electrode.
Densities Positive Active Material Density
The density of the positive active material.
1-Formulation
Output (read only) Output: Positive Active Material Solid Volume Fraction
Outputs the volume fraction of the positive electrode solid active material
relative to the total volume of solids in the positive electrode.
1-Formulation
Positive_Coating_Porosity
Bulk volume of the positive coating material divided by the volume of the
pores of the positive coating material. Linked directly to tortuosity.
Positive_Coating_Tortuosity
The shortest distance between two points for mass transfer. Linked directly to
porosity.
2-Kinetics
ECH Li+RateExpPos (a)
Specifies the rate exponent for the positive electrode Li+ reactant in the
elctrochemical reactions.
Positive_Anodic_Transfer_Coefficient_(Alpha a)
Specifies the anodic apparent transfer coefficient for the Butler-Volmer
reaction method.
Positive_Cathodic_Transfer_Coefficient_(Alpha c)
Specifies the cathodic apparent transfer coefficient for the Butler-Volmer
reaction method.
Positive_Specific_Exchange_Current
Specifies the positive electrode exchange current density.
Positive_Vacancy_Rate_Exponent_(c)
Specifies the positive electrode vacancy rate exponent for calculating the
equilibrium potential activity term.
3-Initial Conditions
Positive Coating Initial Stoichiometry
The fractional loading concentration of lithium ions in the positive
electrode, represented on a scale from 0 to 1.
The Physics > Negative Electrode Formulation custom tree allows you to modify the battery stack (pouch)
negative electrode formulation.
1-Formulation
Densities Negative_Active_Material_Density
The density of the negative active material.
Negative_Binder_Density
Density of the negative binder.
Negative_Conductor_Density
The density of the negative conductor.
1-Formulation
Output (read only) Output: Negative Active Material Solid Volume Fraction
Outputs the volume fraction of the negative electrode solid active material
relative to the total volume of solids in the negative electrode.
1-Formulation
Negative_Coating_Porosity
Bulk volume of the negative coating material divided by the volume of the
pores of the negative coating material. Linked directly to tortuosity.
Negative_Coating_Tortuosity
The shortest distance between two points for mass transfer. Linked directly to
porosity.
2-Kinetics
bruggeman parameters to Alpha neg electrode
model tortuosity / porosity The coefficient for the Bruggeman method, used to calculate the
correlation negative electrode effective electrical conductivity.
a neg electrode
A pre-exponential factor for the Bruggeman method.
b neg electrode
The exponent factor for the Bruggeman method.
2-Kinetics
ECH Li+RateExpNeg (a)
Specifies the rate exponent for the negative electrode Li+ reactant in the
elctrochemical reactions.
Negative_Cathodic_Transfer_Coefficient_(Alpha c)
Specifies the cathodic apparent transfer coefficient for the Butler-Volmer
reaction method.
Negative_Specific_Exchange_Current
Specifies the anodic apparent transfer coefficient for the Butler-Volmer
reaction method.
3-Initial Conditions
Negative Coating Initial Stoichiometry
The fractional loading concentration of lithium ions in the negative
electrode, represented on a scale from 0 to 1.
The Physics > Current Collectors and Tabs custom tree allows you to modify the battery stack (pouch) current
collectors and tabs properties.
Solids
Positive Current Collector and Tabs
Allows you to specify the material properties for the positive electrode current collector and tabs.
Negative_Collector_Density
The density of the negative electrode collector.
Positive_Collector_Density
The density of the positive electrode collector.
Separator Reference
The Physics > Separator custom tree allows you to modify the battery stack (pouch) separator properties.
Solid
Separator Material Properties
Allows you to specify the material properties for the separator.
Separator_Tortuosity
The shortest distance between two points for mass transfer. Linked directly to porosity.
Separator_Density
The density of the separator.
Electrolyte Reference
The Physics > Electrolyte custom tree allows you to modify the battery stack (pouch) electrolyte properties.
Electrolyte Parameters
Electrolyte Density
The density of the electrolyte mixture.
Liquid Components
Solvent
The material properties for the electrolyte solvent. You are advised to not change these material properties.
LiClO4 PC DME 1 1
Allows you to specify the material properties for the electrolyte lithium ions.
Material Properties
Allows you to specify the electrolyte mixture material properties for the battery cell.
The OCV and SOC custom tree allows you to modify the initial state of charge (SOC) and voltage limits for a
battery stack cell.
State of charge (SOC) estimation is based on the specified voltage limits that are calculated analytically for a
single active phase electrode.
SOC_VoltageMax
Specifies the maximum voltage limit for the battery cell.
SOC_VoltageMin
Specifies the minimum voltage limit for the battery cell.
Initial SOC
Specifies the battery cell initial state of charge, represented on a scale from 0 (complete discharge) to 1 (full
charge).
Initialize SOC
A simulation operation that uses the voltage limits and the initial state of charge to compute the open circuit
voltage within the specified voltage limits for the initial conditions of the simulation.
OCV vs SOC
A plot of the OCV of the battery cell relative to the SOC, displayed on a scale from 0 to 1.
SOC Ranges
A plot of the SOC ranges for the battery cell.
Solve Reference
The Solve custom tree allows you to modify the operating conditions and parameters for running the battery
stack (pouch) cell simulation.
The Simcenter STAR-CCM+ 3D Cell Design Capability simulates charge and discharge cycles using an input duty
cycle table.
Initial SOC
The starting state of charge of the battery, ranging from a scale of 0 (complete discharge) to 1 (full charge).
This parameter is also available within the OCV and SOC custom tree.
Depending on the cycle you want to model, set the following table:
The input duty cycle includes rows to specify control boundary conditions for current, power, or voltage, and
to define stopping criteria and limit conditions. The available conditions for the input duty cycle table are
shown below:
Step Condition
Type 1 2 3 =<0 >=10
Specifies the charge or Charges the cell Discharges the Allows the cell Increments the Specifies a
discharge cycles and according to cell according to rest until cycle counter, repeat type. The
optional rest periods the given to the given the specified also referred to number of
until the specified end control control end condition as advance. repeat steps is
condition is reached. condition condition is reached. specified by the
(typically (typically StopValue.
current). current).
Control 0 1 2 3
Specifies the quantity N/A Specifies Specifies a Specifies a
that is kept constant constant constant constant power.
during the step. current that is voltage.
applied to the
cell.
Current (A) Specifies the value for the chosen Control quantity, in corresponding units for that
The control value. property.
StopCriteria 2 3
Specifies a criterion to Sets a voltage- Sets the run
end the step. The based stopping time of the
procedure then moves criterion. step. By
to next step. default, all
values are
specified in
seconds.
StopValue Specifies the limit value for the chosen StopCriteria.
LimitCondition 0 1 2 3 4
Defines a limit that (None) Clears Limits the Sets a limit to Sets a power- Sets the time
must not be exceeded the condition current that is the cell based limit. limit for the
during a step. This setting. applied to the voltage. step. By default,
condition overrides the cell. Can be Can be used all values are
StopValue step if used with with Type 1 specified in
necessary. Type 1 and 2, and 2, and seconds.
For example, consider and Control 2 Control 1 and
a discharge step where (voltage 2(current/
the Control condition charge/ power charge/
is a constant discharge discharge) discharge)
and the conditions. conditions.
LimitCondition is a
specified voltage. If the
LimitCondition is
reached, the discharge
current is reduced to
maintain the limit
condition until the end
condition is reached.
LimitValue Specifies the limit value for the chosen LimitCondition, in corresponding units for
that property.
Simcenter STAR-CCM+ 3D Cell Design Capability stack template package contains some example duty cycle
tables to use for constant current charge/discharge simulations.
PRG_Time Step
Sets the initial duty cycle time-step prior to running the simulation.
Convective_HTC
The convective heat transfer coefficient between the cell package foil and the surrounding environment.
T_Ambient
Sets the ambient temperature.
Program Variables
Lists the program variables used in simulation operations for running the battery cell simulation.
The Post Process custom tree provides you with pre-defined plots and scenes for thermal and electrochemical
analysis of battery cell simulation results.
Contents:
Thermal Analysis Reference
Electrochemical Analysis Reference
Analyze Duty Cycle Reference
The Post Process > Thermal Analysis custom tree provides you with pre-defined plots and scalar scenes for
analyzing temperature distributions within the battery stack.
T_Threshold
Sets a the threshold value for the temperature threshhold scene.
temperature threshhold
A scalar scene, which displays only temperature distribution values above the specified T_Threshold
parameter.
The Post Process > Electrochemical Analysis custom tree provides you with pre-defined plots and scalar
scenes for the electrochemical analysis of the battery stack data.
3D visulation:Surface vs Average Molar Concentration of Li+ in Pos. Active Material crossectiont through
center of neg tab
3D visulation:Surface vs Average Molar Concentration of Li+ in Pos. Active Material crossectiont through
center of pos tab
XY Solid Electrodes line section concentration plot normalized and horizontal line removed NEW
Electric Potential
A custom tree that provides pre-defined plots and scenes for analyzing the distribution of the electric potential
and equilibrium curve verification.
Electric Potentials
The Post Process > Analyze Duty Cycle custom tree provides you with pre-defined plots and scalar scenes for
analyzing the battery stack duty cycle, including voltage, current and capacity.
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