Battery Design LLCCBD Battery Design LLCCBD

Overview of Battery S ® Design Studio® with

ExamplesExamples

Robert M SpotnitzRobert M. Spotnitzrspotnitz@batdesign.com

CBD Battery Design Studio®Battery Design LLC

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A user-friendly interfacebetween battery designers and users for costing, sizing, and correlation of test dataand correlation of test data to performance, safety, and life predictions.

Development started APR1999i t f

pinterface

I t

SizeCostLab

Input ModelOutput

PowerImpedanceLifeAb t

Data

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Abuse, etcUser

CBD Battery Design Studio®

a standardized interfaceBattery Design LLC

CObjective: Exchange of battery information.

D t

BatteryDesignsTests

interface DataAnalysis

InputInput

OutputModels

Input

Output

User Size, Cost, PowerImpedance, LifeAbuse etc

ColleagueBattery developerCathode makerAbuse, etc Cathode makerSeparator makerEtc.

CBD BDS Specification of Physical Design

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This is first attempt to standardize specifications for lithium-ion battery components.

CBDBDS is a platform for different models

Battery Design LLCC

Different models can be applied to same cell design.

CBDExample – Visualize data from different battery cyclers

Battery Design LLCC

BDS provides tools to work with experimental and simulated data.

CBD What BDS ProvidesBattery Design LLC

CTools• To analyze data• To visualize cell designs• To compare experiments with models• To visualize model results

Database• Database

Standard platform for accessing design programs and simulation modelsprograms and simulation modelsA better way to design and develop batteries

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batteries

CBD Features of BDSBattery Design LLC

C1) User-friendly interfaces for input of various cell designs (stack, spiral)2) Visualization tools for examination of results2) Visualization tools for examination of results3) Cell sizing and costing4) Database of components (active matls, electrolytes, separators, etc.)5) Physics-based models ) y6) Circuit models7) Testers – cycler, oven, ARC, DSC8) Pack Design9) Optimization/Regression routines for fitting model parameters to

experimental data - fits results from multiple cells and tests simultaneously

10) Sensitivity Analysis – how parameter changes affect results10) Sensitivity Analysis how parameter changes affect results11) Verification – determine # of experiments necessary to obtain user-

specified confidence limit12) Gap Analysis – determine suitability of a battery for an application

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13) Security – encrypted files

CBD 1) User-friendly interface for cell design input

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CBD 2) Visualization tools for examination of results

Battery Design LLCC

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CBD 3) Cell sizing and costingBattery Design LLC

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Reports can be exported to Excel®

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CBD 4) Database of componentsBattery Design LLC

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Create a new recordCreate a new record

Save the current record

Delete the current record

Save the current record

Delete the current recordDelete the current record

Associate an information file wwhen there is more detailed in

l if f t ’ d

Delete the current record

Associate an information file wwhen there is more detailed in

l if f t ’ dexample, if a manufacturer’s das a pdf (or Word) file, that filerecord.

example, if a manufacturer’s das a pdf (or Word) file, that filerecord.

00005 i

Add notes about a record; te00005 i

Add notes about a record; te

Multiple databases possible.

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CBD 5) Physics-based models Battery Design LLC

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Developers can add their own models.

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pModels can be proprietary.

CBD Unit Cell Model (pseudo-2D)Battery Design LLC

C (p )

PorousN ti

PorousPositive

DischargeAnodeNegative PositiveSeparatorActive φ2

φi2x

cBinder

Cathodeφ1 Li+CathodeCollector

AnodeConductiveAdditive

AnodeCollector Cathode

Active

j14SEI

jncs

CBD Variables (c, i2, Φ2, Φ1, jn, cs)Battery Design LLC

C ( , 2, 2, 1, jn, s)

3Liquid-phasesalt concentration,mol mc −2

2

Liquid phasesalt concentration,mol mLiquid-phasecurrent density,A m

ci −

2

1

Liquid-phase potential, VoltsSolid-phase potential, Volts

φφ−−1

2

p p ,

Localcurrent density at activesurface,A mnj

φ

−3Solid- phase Li concentration,sc − 3mol m

Temperature will be considered later

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Temperature will be considered later

CBD Newman’s Dual Equations (c, i2, Φ2, Φ1, jn, cs)

Battery Design LLCC

Liquid-phase mass balance

Φ2, Φ1, jn, cs)

( ) ooo cdDDtajtcDc

⎟⎞

⎜⎛ −=−+

∇⋅−⎟⎞

⎜⎛ ∇⋅∇=

∂ +2 ln1,1εε imass balance

Solid-phase Ohm’s law

( )

( )set

on

fRTi

cdDDtaj

Fc

t

⎞⎛ ∂

∇−=−

⎟⎠

⎜⎝

+⎟⎠

⎜⎝

∇∇∂ +

12

ln2

ln1,1

κφσ

τε

i

Liquid-phase Ohm’s law

Ki h ff’ l

( )( )

oA

aCaj

ctcf

FRT

⋅∇−=−∂

+

∇−⎟⎠⎞

⎜⎝⎛

∂∂

++∇−= +

21

22

1

ln1ln

ln12

φφ

κφκ

i

i

Solid-phase b l

Kirchoff’s law

( ) ss

s

n

rcDN

rNr

rtc

FtaCaj

∂∂

−=∂

∂=

∂∂

∇=∂

+

2

2

2

,1

i

mass balance

Butler-Volmer( ) ( ) ( ) ca

ssn RTF

RTFccccFkj

rrrt

cca

⎭⎬⎫

⎩⎨⎧

⎟⎠⎞

⎜⎝⎛ −−⎟

⎠⎞

⎜⎝⎛−=

∂∂∂

1 expexp ηαηαααα

16

seineq RjU −−−= 21 φφη

CBDBD Modifications to Dual Model

Battery Design LLCC

Coupled to sizing programsp g p gTemperature and concentration dependent solid-phase diffusiondependent solid phase diffusion coefficientsMultiple active materialsMultiple active materialsSide reactions (lithium deposition, self di h )discharge)Choice of kinetics expressions (linear, Tafel, Butler Volmer)

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CBDEnergy Balance for Insertion ElectrodeL Rao and J Newman J Echem Soc Vol 144(8) 2697 (1997)

Battery Design LLCC L. Rao and J. Newman J. Echem. Soc., Vol. 144(8) 2697 (1997).

dTc Q ai U dv IV= ∑∫&, ,

:volume

p n l H llv

c Q ai U dv IVdt

v

− = − −∑∫

2

: rateof heat flow toenvironment

:enthalpy potential l

Qd UU T U⎛ ⎞= − ≈⎜ ⎟

&

,1 :enthalpy potential

:local open-circuit potential

H l

l

U T UdT T

U

= ≈⎜ ⎟⎝ ⎠ Energy

balance over entire

,

:closed-circuit potential:localcurrent density for reactionn l

Vi l

over entire cell

18

:I cell current

CBD 6) Equiv. Circuit ModelsBattery Design LLC

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PNGV Circuit ModelPNGV Circuit ModelFive parameters OCV OCV’ R R COCV, OCV , Ro, Rp, C

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CBD PNGV Equiv. Circuit ModelBattery Design LLC

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CBD 7) Testers mimic actual equipment

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CBD 8) Pack DesignBattery Design LLC

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CBD 9) Optimization/RegressionBattery Design LLC

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The objective of an optimization can be to maximize/minimize a value of the Report tab of a cell (“buildthe Report tab of a cell ( build optimization”) or the result of a test (“test optimization”).

Test optimization is typically used to regress model parameters to experimental data.

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CBD 9.1) Build OptimizationBattery Design LLC

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Select termination

Select

termination conditions

Select parameters t d

parameters to optimizeDouble-click onto vary and

set range of values to explore

click on “Target” to activate pop-up

i dp window with options (see next

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(page)

CBD 9.2) RegressionBattery Design LLC

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Parameters specific to a cell (as opposed to those common to all cells)can becan be selected here

Multiple procedures can be used to fit parameters. Double-clicking on the Output column for the

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Double-clicking on the Output column for the procedure brings up “Options for Procedure” dialog.

CBD ExamplesBattery Design LLC

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High-Power Cell Fit (Dual model)g ( )High-Energy Cell Fit • Dual Model• Dual Model• Circuit Model (Nelson)• Pack Simulation• Pack Simulation

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CBD HPPC SimulationBattery Design LLC

CCycle 1Cycle 1

Cycle 9

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CBD Rate Capability test at 20oC –simulation versus experiment

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CBD Discharge at –30 °C - not met

Battery Design LLCC

4 5Simulation

4

4.5e

/ V

3

3.5

Volta

g

2

2.5Cel

l

20 100 200 300

Time / min

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Time / minRequirement not met (1.21 Ah < 1.33 Ah)

CBD Lithium-Ion Simulation with Empirical Models

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Nelson model - extendedGP26LGP26L

5 6R T R abs(I)o 0 1 2 3 4

1 0 1 2 0 1

T Temperature(K), I Current(amps)R (T, I) R R T R e R e R abs(I)

T1 I T1 , T2 I T2τ τ

⋅ ⋅

= =

= + ⋅ + ⋅ + ⋅ + ⋅

= ⋅ + = ⋅ +( )TThIV

TETE

dtdTc ambp −+

⎟⎟⎟⎟⎞

⎜⎜⎜⎜⎛

−∂∂

−=31

1 3

1 3

Be

A (T A )0 2 4

B (T B )0 2 4

OCV(DODe), DOD A DOD

A(T, I) A e A A I

B(T, I) B e B B I

−

−

= ⋅

= ⋅ + + ⋅

= ⋅ + + ⋅

∫Energy balance solved

Etn⎟⎠

⎜⎝

43421

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t 0max

IdtDOD DOD

Q== + ∫ simultaneously

CBD Comparison of Model to DataVoltage for C Discharge at 25°C

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GP26L CellGP26L Cell

R2=0.958Average error = 32.1 mVe age e o 3

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CBD Temperature for C Discharge at 25°C - Model versus Data

Battery Design LLCC

R2=0.923Average error = 0.82 oC

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CBD 6A Discharge-Voltage

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CBD 6A Discharge- Pack Temperature

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CBD Comparison of Model to Thermal Image (10 A at 2.8 Ah)

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50oC50 C

21oC

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CBD Comparison of Model to Thermal Image (10 A at 5.3 Ah)

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61oC61oC

22oC

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CBD Comparison of Model to Thermal Image (10 A at 7.0 Ah)

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66oC66oC

22oC

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CBD ConclusionBattery Design LLC

CUse of Battery Design Studio® as a common l tf f l i f b tt d t idplatform for analysis of battery data provides an

unprecedented opportunity to accelerate battery development by providingp y p gProgram Managers with a standardized, consistent, accessible means to evaluate and monitor programsmonitor programsDevelopers/Researchers with a user-friendly means to analyze data and present resultsA means to distribute data and models (encrypted)

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