Thermal & Electr Thermal & Electrochemical Simulation of - PowerPoint PPT Presentation

Thermal & Electr Thermal & Electrochemical Simulation of ochemical Simulation of Batt Batter ery Pack Syst y Pack Systems ems Steve Har St e Hartridge ridge Direct Director or, Electric & , Electric & Hybrid V Hybrid Vehicles hicles

CD-adapco Batt CD-adapco Batter ery Modeling T y Modeling Technology chnology Cell Design Cell Design Tool ool Micr Micro-structure Electr o-structure Electrochemistr ochemistry Build ph Build physics based models ysics based models o of el elect ectrode pair ode pairs and and Vir Virtually t ually test SEM pr st SEM produced oduced electr electrod ode geome e geometry • • couple couple them t them to the the cells cells ph physical constru ysical constructio tion Conduct design studies on ne Conduct design studies on new conce w concepts ts • Use the provid Use the pr ided ed database of mat database of materials t rials to • construct vir constru t virtua ual cells and t l cells and test st their per their performa mance nce Pouch Pro Provid ides pr es previously un iously unseen spat seen spatia ial ef l effects w within elec thin electrod trodes es “De “Design” n” ne next gene xt generation elec electrodes Overall Syst Ov erall System Design em Design Module & P Module & Pack Analysis ck Analysis Interface Module & Int ace Module & Flow, therma Flo , thermal & l & Ele Electr troche hemistr stry analys analysis of is of • • Pack analyses with Pack analyses with com comple lex po x power syst r systems ems com comple lex po x power train train Study detailed spatial ef Study detailed spatial effects at cts at cell, module & cell, module & • system mode syst em models ls pack level pack le Embed physics Embed ph ysics • based or based or em empirical pirical models in models in to po power r train systems train syst s mod models ls Battery

Micro-structure Electr Micr o-structure Electrochemistr ochemistry A genuinely uniq A genuinely unique ue tool which predicts the spatial distribution of ions ool which predicts the spatial distribution of ions and po and potential within an ntial within an arbitrar arbitrary, multi-phase micr multi-phase microstructure region ostructure region – Electric Potential in solid and electrolyte regions – Salt concentration in electrolyte – Concentration of Li in active parts of electrode Uses the arbitrary geometry handling power and massively parallel architecture of STAR-CCM+ Easy set up of the initial states of the electrode based on OCV and state of charge “Primary use is the design of next generation battery electrodes”

Micr Micro-structure Electr o-structure Electrochemistr ochemistry – – Case Study ase Study A A VARTA LIC 1 A LIC 18650 8650 WC LiCO2 batt LiCO2 batter ery w y was segment s segmented b ed by FIB-SEM and FIB-SEM and reconstruct reconstructed**. A ed**. A 21 million cell f million cell finit nite v volume mesh w lume mesh was creat s created d including active mat including activ e material, secondar rial, secondary conductiv y conductive phase and e phase and electr electrolyt olyte e fluid phase*. fluid phase*. *Presen *Presented at ed at Solid Stat Solid State Electr e Electrochemi ochemist stry W Workshop 20 rkshop 2013 held at held at Heide Heidelberg berg **Hutz utzenlau nlaub et al. 2 2012 T 12 Three-Dimens Dimensional m ional model d l development lopment f for l lithium ium intercalat alation e ion electr trodes es, J , J. P Power S Sour urces 185(2) 185(2) Thr Three-dimens ee-dimensional electr ional electrochemical L ochemical Li-ion ba -ion batter ery m y modelling lling featuring a uring a focus cused i d ion- beam scannin beam scanning electr electron micr on microscop oscopy based based three-phas e-phase r e reco cons nstr truct uction o ion of a LiCoO2 O2 cathod cathode, e, Hutze Hutzenlaub et.al .al. Electr Electrochimica ca Acta ta - 2014 “Primary use is the design of next generation battery electrodes”

Micr Micro-structure Electr o-structure Electrochemistr ochemistry – – Case Study ase Study A design study using DEM A design study using DEM 3 Phases Problem Active Material Binders Use STAR-CCM+ CAD tool to improve binder’s network realism “Primary use is the design of next generation battery electrodes”

Cell Design Tool Cell Design T ool A com A comprehensiv rehensive design en design envir vironment which links a nment which links a ph physics based ysics based electr electrochemistr ochemistry model with a model with a sizing pr sizing program, ogram, enabling enabling the the electr electrochemical and ph ochemical and physical design of a ysical design of a cell t cell to be studied be studied – Electrochemistry model – numerous derivatives with increasing fidelity – Sizing program – Numerically ‘build’ the cell and understand important metrics Co Covers all Batt rs all Batter ery f y form f rm fact ctor ors – s – Stack tack, w , wound prismatic & und prismatic & wound und cylindrical cylindrical Parame rameterization of a rization of a batt batter ery cell – y cell – creating either an reating either an cont contem emporar porary electrochemistr electr ochemistry model or eq model or equiv uivalent cir lent circuit uit model model Exam Example Model ple Model

Cell Design Tool Cell Design T ool Sizing Sizing Exam Example – ple – Cylindrical Cell ylindrical Cell – Default High Power NCA/Graphite 18650 cell, 1.04 Ahr, – Increased Energy NCA/Graphite 18650 cell, 1.28 Ahr(23% up)

Cell Design Tool – Cell Design T ool – Validation R alidation Result sult Discharge Response Discharge R sponse – Sanyo LiNi0.33Mn0.33Co0.33O2 18650 cell (2.05Ahr) – Cells disassembled and physically characterized – C/5 to 2C discharge rate – Errors within 6.5% over total discharge – Errors within 2.8% over 60% SOC window Sakt Sakti, et. et. Al, Al, A A val validation stud study of of lith lithium-ion cel cell cons constant c- c-rate te dis discharge sim simulation with with Battery D ry Design S gn Studio io, Internat International Journa Journal of of Energ Energy Researc Research 2012 2012

Cell Design T Cell Design Tool - ool - Validation R alidation Result sult Figure re shows shows the pred the predicti tion on of cel of cell vol voltage usi using a a deta detailed d electro electroche hemi mica cal model model, ov over er a a comp complete te drive drive cycl cycle. T . The lowe he lower r grap graph compa h compares es simu simulati tion on (red (red lin line) with with experi experimen enta tal (gree (green poin points) s) resu result. t. The upper he upper graph graph is the instan is the instanta taneous error error betwe between the two lin the two lines es . . Average age pred predicti tion on erro error over over the 30 the 30 minu minute te driv drive cycl cycle is 8mV is 8mV Thanks hanks to Dav Dave Howell Howell, DoE , DoE f for t their c eir co-funding unding of of the CD- he CD-ad adapco CA apco CAEBAT BAT pr project and oject and NRE NREL L for t their pr eir project involvement oject involvement

Cell Design T Cell Design Tool – ool – Process cess Cell Description Cell Description – Geometric Description of cell – Material properties of coatings – Voltage vs. Stoichiometry for active – Electrolyte selection Cell Calibration Data Cell Calibration Data – OCV curve – HPPC tests at differing rates/differing temperatures – Constant current at low C rate/differing temperatures Cell P Cell Parame rameter Estimation r Estimation – Stoichiometry at formation to match capacity – Temperature dependent diffusion co-eff – Kinetic rate constant – SEI resistance to match voltage drop in HPPC test Cell V Cell Validation lidation

Cell Design T Cell Design Tool – ool – Aging Prediction ging Prediction • Creat Created a d a 20Ah cell with LiF 20Ah cell with LiFePo cathode/Graphit cathode/Graphite anode anode • Run a 1 y n a 1 year ar aging simulation aging simulation • Com Compare “Initial” with “aged” cell per are “Initial” with “aged” cell performance ormance Solvent Solvent Diffusion Model for Diffusion Model for agin aging g of of lith lithium-ion batter ium-ion battery cells, H. cells, H. P P loehn, P. loehn, P. Ramadass, R. Ramadass, R. White White. J J Elect Electrochemistr emistry y Soc. 151 Soc. 151 (3) (3) A456-A462 A456-A462 (2004) (2004)