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C
BD   Battery Design LLC


 Overview of Battery
 Design S
        Studio® with
     Examples
     Robert M. Spotnitz
            M
     rspotnitz@batdesign.com
C  BD           Battery Design Studio®
Battery Design LLC
                      y

  A user-friendly interface
                            g

  between battery designers
  and users for costing, sizing,
  and correlation of test data
  to performance, safety, and
  life predictions.
                                     Development started APR1999
                                           p
                    interface
                    i t f
                                               Size
                                    Lab        Cost
                     Input
                     I   t                     Power
                                   Model       Impedance
                     Output         Data       Life
                                               Abuse, etc
                                               Ab      t
             User
                        Page 2
Battery Design Studio®

C  BD
Battery Design LLC
                     a standardized interface
      Objective: Exchange of battery information.
                                            Battery
                               Tests        Designs
                      interface     Data
                                    D t
                                   Analysis
                                                Input
                       Input
                                    Models
                                                Output
                       Output
              User              Size, Cost, Power       Colleague
                                Impedance, Life         Battery developer
                                Abuse,
                                Abuse etc               Cathode maker
                                                        Separator maker
                                                        Etc.
BDS Specification of Physical

C  BD            Design
Battery Design LLC
                     g




   This is first attempt to standardize specifications for
   lithium-ion battery components.
BDS is a platform for different

C  BD           models
Battery Design LLC




   Different models can be applied to same cell design.
Example – Visualize data from

C  BD           different battery cyclers
Battery Design LLC




   BDS provides tools to work with experimental and
   simulated data.
C  BD           What BDS Provides
Battery Design LLC


       Tools
        •   To analyze data
        •   To visualize cell designs
        •   To compare experiments with models
        •   To visualize model results
        •   Database
       Standard platform for accessing design
       programs and simulation models
       A better way to design and develop
       batteries
                                Page 7
C1)
 2)
      BD         Features of BDS
Battery Design LLC

       User-friendly interfaces for input of various cell designs (stack, spiral)
       Visualization tools for examination of results
 3)    Cell sizing and costing
 4)    Database of components (active matls, electrolytes, separators, etc.)
 5)
  )    Physics-based models
          y
 6)    Circuit models
 7)    Testers – cycler, oven, ARC, DSC
 8)    Pack Design
 9)    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 results
 11)   Verification – determine # of experiments necessary to obtain user-
       specified confidence limit
 12)   Gap Analysis – determine suitability of a battery for an application
 13)   Security – encrypted files
                                        Page 8
1) User-friendly interface for

C  BD
Battery Design LLC
                     cell design input
                              g    p




                           Page 9
2) Visualization tools for

C  BD
Battery Design LLC
                   examination of results




                      Page 10
C  BD
Battery Design LLC
                     3) Cell sizing and costing
                      )           g           g




                          Reports can be exported to Excel®


                          Page 11
C  BD
Battery Design LLC
                     4) Database of components
                      )                p

                                                   Create a new record

                                                   Save the current record

                                                   Delete the current record
                                                Associate an information file w
                                                when there is more detailed in
                                                example, if a manufacturer’s d
                                                       l           f t       ’
                                                as a pdf (or Word) file, that file
                                                record.

                                                  Add notes about a record; te
                                      00005 i


                                    Multiple databases possible.
                                         p             p

                          Page 12
C  BD
Battery Design LLC
                     5) Physics-based models
                      )   y




        Developers can add their own models.
              p
        Models can be proprietary.
                          Page 13
C  BD           Unit Cell Model (pseudo-2D)
Battery Design LLC


   Anode             Porous
                                (p        )
                                     Discharge       Porous
   Active            Negative
                     N    ti         Separator       Positive
                                                                  φ2
  Binder                                         c
                                       i2x

          φ1                          Li+
                                                                   Cathode
                                                                   Collector
Anode
Collector                                                       Cathode
                                             Conductive
                                                                Active
                                             Additive
          cs                    jn                         14
                       SEI
C  BD           Variables (c, i2, Φ2, Φ1, jn, cs)
Battery Design LLC
                            ,


         c − Liquid-phase salt concentration, mol m3
             Liquid phase
         i2 − Liquid-phase current density, A m 2
         φ2 − Liquid-phase potential, Volts
         φ1 − Solid-phase potential, Volts
                    p     p        ,
         jn − Local current density at active surface, A m   2


         cs − Solid- phase Li concentration, mol m3
         Temperature will be considered later

    15
C   BD
Battery Design LLC

Liquid-phase ∂c
mass balanceε
                  Newman’s Dual Equations (c, i2,
                  Φ2, Φ1, jn, cs)

                     ⎛ εD ⎞ i 2 ⋅ ∇t +
                = ∇ ⋅⎜   ∇c ⎟ −
                                     o
                                                          (       )
                                                              ⎛ d ln co ⎞
                                       + ajn 1 − t + , D = Do ⎜1 −
                                                   o
                                                                        ⎟
               ∂t         ⎝ τ  ⎠              F                          ⎝     d ln c ⎠
Solid-phase iset − i 2 = −σ∇φ1
Ohm’s law
                               2κRT ⎛ ∂ ln f A ⎞
Liquid-phase
               i 2 = −κ∇φ2 +
                                  F ⎝
                                       ⎜1 +           (
                                               ∂ ln c ⎠
                                                              )
                                                       ⎟ 1 − t + ∇ ln c
                                                               o



                        ∂ (φ1 − φ2 )
Ohm’s law
                                            1
Kirchoff’s law ajn + aC
Ki h ff’ l                            = − ∇ ⋅ i2
                              ∂t            F

Solid-phase
               ∂cs 1 ∂ r 2 N
                    = 2
                            (     ), N = − Ds
                                                   ∂cs
      balance ∂t
mass b l              r      ∂r                    ∂r
                                                α ⎧     ⎛ α Fη ⎞         ⎛ − α c Fη ⎞⎫
               jn = Fk (c ) a (c1 − cs ) c (cs ) c ⎨exp⎜ a
                           α            α
                                                                  ⎟ − exp⎜          ⎟⎬
Butler-Volmer                                      ⎩ ⎝ RT ⎠              ⎝ RT ⎠⎭
               η = φ1 − φ2 − U eq − jn Rsei
    16
BD Modifications to

C  BD           Dual Model
Battery Design LLC


       Coupled to sizing programs
           p             gp g
       Temperature and concentration
       dependent solid-phase diffusion
                    solid phase
       coefficients
       Multiple active materials
       Side reactions (lithium deposition, self
       discharge)
       di h      )
       Choice of kinetics expressions (linear,
       Tafel, Butler Volmer)
                          Page 17
Energy Balance for Insertion

C  BD          Electrode
               L.
               L Rao and J Newman J Echem. Soc Vol 144(8) 2697 (1997).
Battery Design LLC



     cp
        dT &
                         J.       J. Echem Soc., Vol.




           − Q = − ∫ ∑ ain ,lU H ,l dv − IV
                                                               (1997)




        dt         v l

    v : volume
     &
    Q :rate of heat flow to environment
                                       d        ⎛ Ul   ⎞
    U H ,1 :enthalpy potential = −T      2
                                                ⎜      ⎟ ≈ Ul
                                      dT        ⎝T     ⎠            Energy
    U l :local open-circuit potential                               balance
                                                                    over entire
    V :closed-circuit potential                                     cell
    in ,l :local current density for reaction l
     I : cell current
    18
C  BD
Battery Design LLC
                     6) Equiv. Circuit Models
                      ) q

                                    PNGV Circuit Model
                                    Five parameters
                                    OCV, OCV’
                                    OCV OCV , Ro, Rp, C




                          Page 19
C  BD
Battery Design LLC
                     PNGV Equiv. Circuit Model
                           q




                         Page 20
7) Testers mimic actual

C  BD            q p
                equipment
Battery Design LLC




                          Page 21
C  BD           8) Pack Design
                 )
Battery Design LLC
                            g




                        Page 22
C  BD
Battery Design LLC
                     9) Optimization/Regression
                      ) p              g


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


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


                          Page 23
C  BD
Battery Design LLC
                     9.1) Build Optimization
                        )        p
                                               Select
                                               termination
                                               conditions

                                               Select
                                               parameters
                                               to optimize
 Select
                                               Double-
 parameters
                                               click on
 to
 t vary andd
                                               “Target” to
 set range of
                                               activate
 values to
                                               pop-up
 explore
    p
                                               window
                                                 i d
                                               with
                                               options
                                               (
                                               (see next
                                               page)

                          Page 24
C  BD
Battery Design LLC


 Parameters
                     9.2) Regression
                        )   g


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



           Multiple procedures can be used to fit parameters.
           Double-clicking on the Output column for the
           procedure brings up “Options for Procedure” dialog.
                          Page 25
C  BD           Examples
Battery Design LLC
                    p

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




                            Page 26
C  BD           HPPC Simulation
Battery Design LLC


                                  Cycle 1




                                   Cycle 9




                     Page 27
Rate Capability test at 20oC –

C  BD           simulation versus experiment
Battery Design LLC
                                     p




                          Page 28
Discharge at –30 °C

C  BD
Battery Design LLC
            Cell Voltage / V
                                 - not met

                                 4.5
                                 45
                                                                         Simulation

                                   4
                                 3.5
                                   3
                                 2.5
                                   2
                                       0         100          200        300
                                                    Time / min
                               Requirement not met (1.21 Ah < 1.33 Ah)
                                                  Page 29
Lithium-Ion Simulation with

C    BD
Battery Design LLC
                             Empirical Models
        Nelson model - extended
                                p

                                                                                                         GP26L




  T = Temperature(K), I = Current(amps)                                                             ⎛               ⎞
  R o (T, I) = R 0 + R1 ⋅ T + R 2 ⋅ e   R 5 ⋅T
                                                 + R3 ⋅ e   R 6 ⋅abs(I)
                                                                          + R 4 ⋅ abs(I)            ⎜        ∂E     ⎟
                                                                                                                − V ⎟ I + h(Tamb − T )
                                                                                               dT
                                                                                            cp    = ⎜ E −T
 τ 1 = T10 ⋅ I + T11 , τ 2 = T20 ⋅ I + T21                                                     dt ⎜ 1 24     ∂T     ⎟
                                                                                                    ⎜ 4E 3          ⎟
  OCV(DODe), DODe = A ⋅ DOD B                                                                       ⎝     tn        ⎠
  A(T, I) = A 0 ⋅ e A1 (T − A3 ) + A 2 + A 4 ⋅ I
  B(T, I) = B0 ⋅ e B1 (T − B3 ) + B2 + B4 ⋅ I                                              Energy balance solved
  DOD= DOD t = 0 +
                          ∫ Idt                                                            simultaneously
                         Q max
                                                        Page 30
Comparison of Model to Data

C  BD           Voltage for C Discharge at 25°C
Battery Design LLC
                     g               g



                            GP26L Cell

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



    Page 31
Temperature for C Discharge at

C  BD           25°C - Model versus Data
Battery Design LLC




                     R2=0.923
                     Average error = 0.82 oC




    Page 32
6A Discharge

C  BD           -Voltage
Battery Design LLC
                      g




    Page 33
6A Discharge

C  BD           - Pack Temperature
Battery Design LLC
                          p




    Page 34
Comparison of Model to

C  BD           Thermal Image (10 A at 2.8 Ah)
Battery Design LLC



                     50oC
                           g (               )




                     21oC

    Page 35
Comparison of Model to

C  BD           Thermal Image (10 A at 5.3 Ah)
Battery Design LLC



                     61oC
                           g (               )




                     22oC


    Page 36
Comparison of Model to

C  BD           Thermal Image (10 A at 7.0 Ah)
Battery Design LLC



                     66oC
                           g (               )




                     22oC


    Page 37
C  BD           Conclusion
Battery Design LLC


       Use of Battery Design Studio® as a common
       platform f analysis of b tt
        l tf    for    l i f battery d t provides an
                                      data      id
       unprecedented opportunity to accelerate battery
       development by providing
              p       yp        g
       Program Managers with a standardized,
       consistent, accessible means to evaluate and
       monitor programs
       Developers/Researchers with a user-friendly
       means to analyze data and present results
       A means to distribute data and models
       (encrypted)


                           Page 38

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Bds Overview Dec09

  • 1. C BD Battery Design LLC Overview of Battery Design S Studio® with Examples Robert M. Spotnitz M rspotnitz@batdesign.com
  • 2. C BD Battery Design Studio® Battery Design LLC y A user-friendly interface g between battery designers and users for costing, sizing, and correlation of test data to performance, safety, and life predictions. Development started APR1999 p interface i t f Size Lab Cost Input I t Power Model Impedance Output Data Life Abuse, etc Ab t User Page 2
  • 3. Battery Design Studio® C BD Battery Design LLC a standardized interface Objective: Exchange of battery information. Battery Tests Designs interface Data D t Analysis Input Input Models Output Output User Size, Cost, Power Colleague Impedance, Life Battery developer Abuse, Abuse etc Cathode maker Separator maker Etc.
  • 4. BDS Specification of Physical C BD Design Battery Design LLC g This is first attempt to standardize specifications for lithium-ion battery components.
  • 5. BDS is a platform for different C BD models Battery Design LLC Different models can be applied to same cell design.
  • 6. Example – Visualize data from C BD different battery cyclers Battery Design LLC BDS provides tools to work with experimental and simulated data.
  • 7. C BD What BDS Provides Battery Design LLC Tools • To analyze data • To visualize cell designs • To compare experiments with models • To visualize model results • Database Standard platform for accessing design programs and simulation models A better way to design and develop batteries Page 7
  • 8. C1) 2) BD Features of BDS Battery Design LLC User-friendly interfaces for input of various cell designs (stack, spiral) Visualization tools for examination of results 3) Cell sizing and costing 4) Database of components (active matls, electrolytes, separators, etc.) 5) ) Physics-based models y 6) Circuit models 7) Testers – cycler, oven, ARC, DSC 8) Pack Design 9) 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 results 11) Verification – determine # of experiments necessary to obtain user- specified confidence limit 12) Gap Analysis – determine suitability of a battery for an application 13) Security – encrypted files Page 8
  • 9. 1) User-friendly interface for C BD Battery Design LLC cell design input g p Page 9
  • 10. 2) Visualization tools for C BD Battery Design LLC examination of results Page 10
  • 11. C BD Battery Design LLC 3) Cell sizing and costing ) g g Reports can be exported to Excel® Page 11
  • 12. C BD Battery Design LLC 4) Database of components ) p Create a new record Save the current record Delete the current record Associate an information file w when there is more detailed in example, if a manufacturer’s d l f t ’ as a pdf (or Word) file, that file record. Add notes about a record; te 00005 i Multiple databases possible. p p Page 12
  • 13. C BD Battery Design LLC 5) Physics-based models ) y Developers can add their own models. p Models can be proprietary. Page 13
  • 14. C BD Unit Cell Model (pseudo-2D) Battery Design LLC Anode Porous (p ) Discharge Porous Active Negative N ti Separator Positive φ2 Binder c i2x φ1 Li+ Cathode Collector Anode Collector Cathode Conductive Active Additive cs jn 14 SEI
  • 15. C BD Variables (c, i2, Φ2, Φ1, jn, cs) Battery Design LLC , c − Liquid-phase salt concentration, mol m3 Liquid phase i2 − Liquid-phase current density, A m 2 φ2 − Liquid-phase potential, Volts φ1 − Solid-phase potential, Volts p p , jn − Local current density at active surface, A m 2 cs − Solid- phase Li concentration, mol m3 Temperature will be considered later 15
  • 16. C BD Battery Design LLC Liquid-phase ∂c mass balanceε Newman’s Dual Equations (c, i2, Φ2, Φ1, jn, cs) ⎛ εD ⎞ i 2 ⋅ ∇t + = ∇ ⋅⎜ ∇c ⎟ − o ( ) ⎛ d ln co ⎞ + ajn 1 − t + , D = Do ⎜1 − o ⎟ ∂t ⎝ τ ⎠ F ⎝ d ln c ⎠ Solid-phase iset − i 2 = −σ∇φ1 Ohm’s law 2κRT ⎛ ∂ ln f A ⎞ Liquid-phase i 2 = −κ∇φ2 + F ⎝ ⎜1 + ( ∂ ln c ⎠ ) ⎟ 1 − t + ∇ ln c o ∂ (φ1 − φ2 ) Ohm’s law 1 Kirchoff’s law ajn + aC Ki h ff’ l = − ∇ ⋅ i2 ∂t F Solid-phase ∂cs 1 ∂ r 2 N = 2 ( ), N = − Ds ∂cs balance ∂t mass b l r ∂r ∂r α ⎧ ⎛ α Fη ⎞ ⎛ − α c Fη ⎞⎫ jn = Fk (c ) a (c1 − cs ) c (cs ) c ⎨exp⎜ a α α ⎟ − exp⎜ ⎟⎬ Butler-Volmer ⎩ ⎝ RT ⎠ ⎝ RT ⎠⎭ η = φ1 − φ2 − U eq − jn Rsei 16
  • 17. BD Modifications to C BD Dual Model Battery Design LLC Coupled to sizing programs p gp g Temperature and concentration dependent solid-phase diffusion solid phase coefficients Multiple active materials Side reactions (lithium deposition, self discharge) di h ) Choice of kinetics expressions (linear, Tafel, Butler Volmer) Page 17
  • 18. Energy Balance for Insertion C BD Electrode L. L Rao and J Newman J Echem. Soc Vol 144(8) 2697 (1997). Battery Design LLC cp dT & J. J. Echem Soc., Vol. − Q = − ∫ ∑ ain ,lU H ,l dv − IV (1997) dt v l v : volume & Q :rate of heat flow to environment d ⎛ Ul ⎞ U H ,1 :enthalpy potential = −T 2 ⎜ ⎟ ≈ Ul dT ⎝T ⎠ Energy U l :local open-circuit potential balance over entire V :closed-circuit potential cell in ,l :local current density for reaction l I : cell current 18
  • 19. C BD Battery Design LLC 6) Equiv. Circuit Models ) q PNGV Circuit Model Five parameters OCV, OCV’ OCV OCV , Ro, Rp, C Page 19
  • 20. C BD Battery Design LLC PNGV Equiv. Circuit Model q Page 20
  • 21. 7) Testers mimic actual C BD q p equipment Battery Design LLC Page 21
  • 22. C BD 8) Pack Design ) Battery Design LLC g Page 22
  • 23. C BD Battery Design LLC 9) Optimization/Regression ) p g The objective of an optimization can be to maximize/minimize a value of the Report tab of a cell (“build ( build optimization”) or the result of a test (“test optimization”). Test optimization is typically used to regress model parameters to experimental data. Page 23
  • 24. C BD Battery Design LLC 9.1) Build Optimization ) p Select termination conditions Select parameters to optimize Select Double- parameters click on to t vary andd “Target” to set range of activate values to pop-up explore p window i d with options ( (see next page) Page 24
  • 25. C BD Battery Design LLC Parameters 9.2) Regression ) g specific to a cell (as opposed to those common to all cells) can be selected here Multiple procedures can be used to fit parameters. Double-clicking on the Output column for the procedure brings up “Options for Procedure” dialog. Page 25
  • 26. C BD Examples Battery Design LLC p High-Power Cell Fit (Dual model) g ( ) High-Energy Cell Fit • Dual Model • Circuit Model (Nelson) • Pack Simulation Page 26
  • 27. C BD HPPC Simulation Battery Design LLC Cycle 1 Cycle 9 Page 27
  • 28. Rate Capability test at 20oC – C BD simulation versus experiment Battery Design LLC p Page 28
  • 29. Discharge at –30 °C C BD Battery Design LLC Cell Voltage / V - not met 4.5 45 Simulation 4 3.5 3 2.5 2 0 100 200 300 Time / min Requirement not met (1.21 Ah < 1.33 Ah) Page 29
  • 30. Lithium-Ion Simulation with C BD Battery Design LLC Empirical Models Nelson model - extended p GP26L T = Temperature(K), I = Current(amps) ⎛ ⎞ R o (T, I) = R 0 + R1 ⋅ T + R 2 ⋅ e R 5 ⋅T + R3 ⋅ e R 6 ⋅abs(I) + R 4 ⋅ abs(I) ⎜ ∂E ⎟ − V ⎟ I + h(Tamb − T ) dT cp = ⎜ E −T τ 1 = T10 ⋅ I + T11 , τ 2 = T20 ⋅ I + T21 dt ⎜ 1 24 ∂T ⎟ ⎜ 4E 3 ⎟ OCV(DODe), DODe = A ⋅ DOD B ⎝ tn ⎠ A(T, I) = A 0 ⋅ e A1 (T − A3 ) + A 2 + A 4 ⋅ I B(T, I) = B0 ⋅ e B1 (T − B3 ) + B2 + B4 ⋅ I Energy balance solved DOD= DOD t = 0 + ∫ Idt simultaneously Q max Page 30
  • 31. Comparison of Model to Data C BD Voltage for C Discharge at 25°C Battery Design LLC g g GP26L Cell R2=0.958 Average e o = 3 e age error 32.1 mV Page 31
  • 32. Temperature for C Discharge at C BD 25°C - Model versus Data Battery Design LLC R2=0.923 Average error = 0.82 oC Page 32
  • 33. 6A Discharge C BD -Voltage Battery Design LLC g Page 33
  • 34. 6A Discharge C BD - Pack Temperature Battery Design LLC p Page 34
  • 35. Comparison of Model to C BD Thermal Image (10 A at 2.8 Ah) Battery Design LLC 50oC g ( ) 21oC Page 35
  • 36. Comparison of Model to C BD Thermal Image (10 A at 5.3 Ah) Battery Design LLC 61oC g ( ) 22oC Page 36
  • 37. Comparison of Model to C BD Thermal Image (10 A at 7.0 Ah) Battery Design LLC 66oC g ( ) 22oC Page 37
  • 38. C BD Conclusion Battery Design LLC Use of Battery Design Studio® as a common platform f analysis of b tt l tf for l i f battery d t provides an data id unprecedented opportunity to accelerate battery development by providing p yp g Program Managers with a standardized, consistent, accessible means to evaluate and monitor programs Developers/Researchers with a user-friendly means to analyze data and present results A means to distribute data and models (encrypted) Page 38