A SEI Modeling Approach Distinguishing between Capacity and Power Fade

In this paper we introduce a pseudo two-dimensional (P2D) model for a common lithium-nickel-cobalt-manganese-oxide versus graphite (NCM/graphite) cell with solid electrolyte interphase (SEI) growth as the dominating capacity fade mechanism on the anode and active material dissolution as the main aging mechanism on the cathode. The SEI implementation considers a growth due to non-ideal insulation properties during calendar as well as cyclic aging and a re-formation after cyclic cracking of the layer during graphite expansion. Additionally, our approach distinguishes between an electronic (σSEI) and an ionic (κSEI) conductivity of the SEI. This approach introduces the possibility to adapt the model to capacity as well as power fade. Simulation data show good agreement with an experimental aging study for NCM/graphite cells at different temperatures introduced in literature.

[1]  Marcel Lacroix,et al.  Review of simplified Pseudo-two-Dimensional models of lithium-ion batteries , 2016 .

[2]  J. Bhattacharya,et al.  Review—Manganese Dissolution from Spinel Cathode: Few Unanswered Questions , 2017 .

[3]  M. Doyle,et al.  Modeling of Galvanostatic Charge and Discharge of the Lithium/Polymer/Insertion Cell , 1993 .

[4]  Balaji Krishnamurthy,et al.  A Mathematical Model to Study Capacity Fading in Lithium Ion Batteries: Formation and Dissolution Reactions , 2015 .

[5]  J. M. Tarascon.  The Li-Ion Battery: 25 Years of Exciting and Enriching Experiences , 2016 .

[6]  Interface identification of the solid electrolyte interphase on graphite , 2016, 1612.01383.

[7]  H. Gasteiger,et al.  Aging Analysis of Graphite/LiNi1/3Mn1/3Co1/3O2 Cells Using XRD, PGAA, and AC Impedance , 2015 .

[8]  Long Cai,et al.  Life modeling of a lithium ion cell with a spinel-based cathode , 2013 .

[9]  D. Sauer,et al.  Calendar and cycle life study of Li(NiMnCo)O2-based 18650 lithium-ion batteries , 2014 .

[10]  Kandler Smith,et al.  Modeling detailed chemistry and transport for solid-electrolyte-interface (SEI) films in Li–ion batteries , 2011 .

[11]  Lars Ole Valøen,et al.  Transport Properties of LiPF6-Based Li-Ion Battery Electrolytes , 2005 .

[12]  Dirk Uwe Sauer,et al.  Modeling mechanical degradation in lithium ion batteries during cycling: Solid electrolyte interphase fracture , 2015 .

[13]  W. Bessler,et al.  Physical Multiscale Modeling and Numerical Simulation of Electrochemical Devices for Energy Conversion and Storage , 2016 .

[14]  Martin Winter,et al.  Electrochemical impedance spectroscopy study of the SEI formation on graphite and metal electrodes , 2006 .

[15]  J. Fergus,et al.  Lithium Ion Battery Anode Aging Mechanisms , 2013, Materials.

[16]  Venkat R. Subramanian,et al.  Model-Based SEI Layer Growth and Capacity Fade Analysis for EV and PHEV Batteries and Drive Cycles , 2014 .

[17]  Song-Yul Choe,et al.  Development of a physics-based degradation model for lithium ion polymer batteries considering side reactions , 2015 .

[18]  J. Fergus,et al.  The formation and stability of the solid electrolyte interface on the graphite anode , 2014 .

[19]  Mark W. Verbrugge,et al.  Degradation of lithium ion batteries employing graphite negatives and nickel–cobalt–manganese oxide + spinel manganese oxide positives: Part 2, chemical–mechanical degradation model , 2014 .

[20]  Ralph E. White,et al.  Modeling Lithium Intercalation of a Single Spinel Particle under Potentiodynamic Control , 2000 .

[21]  Jihong Wang,et al.  Capacity fade modelling of lithium-ion battery under cyclic loading conditions , 2016 .

[22]  A. Jossen,et al.  Measurements of lithium-ion concentration equilibration processes inside graphite electrodes , 2017 .

[23]  J. Newman,et al.  Theoretical Analysis of Current Distribution in Porous Electrodes , 1962 .

[24]  R. Spotnitz.  Simulation of capacity fade in lithium-ion batteries , 2003 .

[25]  Kang Xu,et al.  Nonaqueous liquid electrolytes for lithium-based rechargeable batteries. , 2004, Chemical reviews.

[26]  U. Troeltzsch,et al.  Characterizing aging effects of lithium ion batteries by impedance spectroscopy , 2006 .

[27]  Xianke Lin,et al.  A Comprehensive Capacity Fade Model and Analysis for Li-Ion Batteries , 2013 .

[28]  Ralph E. White,et al.  Capacity Fade Mechanisms and Side Reactions in Lithium‐Ion Batteries , 1998 .

[29]  Matthieu Dubarry,et al.  Synthesize battery degradation modes via a diagnostic and prognostic model , 2012 .

[30]  J. Newman,et al.  Modeling the Performance of Lithium-Ion Batteries and Capacitors during Hybrid-Electric-Vehicle Operation , 2008 .

[31]  D. Aurbach,et al.  Review—Multifunctional Materials for Enhanced Li-Ion Batteries Durability: A Brief Review of Practical Options , 2017 .

[32]  H. Ehrenberg,et al.  Changes of the balancing between anode and cathode due to fatigue in commercial lithium-ion cells , 2016 .

[33]  John Newman,et al.  Cyclable Lithium and Capacity Loss in Li-Ion Cells , 2005 .

[34]  Feng Wu,et al.  A prediction model based on artificial neural network for surface temperature simulation of nickel–metal hydride battery during charging , 2012 .

[35]  T. Abe,et al.  Intercalation/De-Intercalation Reactions of Lithium Ion at Graphite in Electrolyte Solutions Containing 3D-Transition-Metal Ions and Cyclic Ethers , 2016 .

[36]  Yukihiro Okuno,et al.  Near-Shore Aggregation Mechanism of Electrolyte Decomposition Products to Explain Solid Electrolyte Interphase Formation , 2015 .

[37]  D. Sauer,et al.  Characterization of high-power lithium-ion batteries by electrochemical impedance spectroscopy. II: Modelling , 2011 .

[38]  Peng Lu,et al.  Effects of Inhomogeneities—Nanoscale to Mesoscale—on the Durability of Li-Ion Batteries , 2013 .

[39]  P. Bruce,et al.  Degradation diagnostics for lithium ion cells , 2017 .

[40]  D. Aurbach.  Review of selected electrode–solution interactions which determine the performance of Li and Li ion batteries , 2000 .

[41]  M. Wohlfahrt‐Mehrens,et al.  Ageing mechanisms in lithium-ion batteries , 2005 .

[42]  Amit Gupta,et al.  Mathematical model for combined effect of SEI formation and gas evolution in Li-ion batteries , 2014 .

[43]  Ralph E. White,et al.  Development of First Principles Capacity Fade Model for Li-Ion Cells , 2004 .

[44]  Peter Lamp,et al.  Electrode-electrolyte interface in Li-ion batteries: current understanding and new insights. , 2015, The journal of physical chemistry letters.

[45]  P. Jennings,et al.  A mass transfer based variable porosity model with particle radius change for a Lithium-ion battery , 2017 .

[46]  Göran Lindbergh,et al.  A Model for Predicting Capacity Fade due to SEI Formation in a Commercial Graphite/LiFePO4 Cell , 2015 .

[47]  J. Goodenough.  Challenges for Rechargeable Li Batteries , 2010 .

[48]  B. Scrosati,et al.  Lithium batteries: Status, prospects and future , 2010 .

[49]  Robert B. Darling,et al.  Determining the optimal discharge strategy for a lithium-ion battery using a physics-based model , 2015 .

[50]  A. Jossen,et al.  Reducing Inhomogeneous Current Density Distribution in Graphite Electrodes by Design Variation , 2017 .

[51]  Axel Groß,et al.  Some challenges in the first-principles modeling of structures and processes in electrochemical energy storage and transfer , 2015 .

[52]  Zechang Sun,et al.  Adaptive model parameter identification for large capacity Li-ion batteries on separated time scales , 2016 .

[53]  S. Ogata,et al.  Multi-Thousand-Atom DFT Simulation of Li-Ion Transfer through the Boundary between the Solid–Electrolyte Interface and Liquid Electrolyte in a Li-Ion Battery , 2013 .

[54]  Jian Zhang,et al.  Phenomenologically modeling the formation and evolution of the solid electrolyte interface on the graphite electrode for lithium-ion batteries , 2008 .

[55]  W. Lu,et al.  A thermal-electrochemical model that gives spatial-dependent growth of solid electrolyte interphase in a Li-ion battery , 2014 .

[56]  M. Broussely,et al.  Main aging mechanisms in Li ion batteries , 2005 .

[57]  Matthew B. Pinson,et al.  Theory of SEI Formation in Rechargeable Batteries: Capacity Fade, Accelerated Aging and Lifetime Prediction , 2012, 1210.3672.

[58]  Richard D. Braatz,et al.  Modeling and Simulation of Lithium-Ion Batteries from a Systems Engineering Perspective , 2010 .

[59]  M. Doyle,et al.  Relaxation Phenomena in Lithium‐Ion‐Insertion Cells , 1994 .

[60]  Michael J. Martínez,et al.  Measurement of MacMullin Numbers for PEMFC Gas-Diffusion Media , 2009 .

[61]  Simon F. Schuster,et al.  Nonlinear aging of cylindrical lithium-ion cells linked to heterogeneous compression , 2016 .

[62]  P. Kent,et al.  Solid–Electrolyte Interphase Formation and Electrolyte Reduction at Li-Ion Battery Graphite Anodes: Insights from First-Principles Molecular Dynamics , 2012 .

[63]  Ralph E. White,et al.  A generalized cycle life model of rechargeable Li-ion batteries , 2006 .

[64]  Mohammadhosein Safari,et al.  Modeling of a Commercial Graphite/LiFePO4 Cell , 2011 .

[65]  P. Novák,et al.  A review of the features and analyses of the solid electrolyte interphase in Li-ion batteries , 2010 .

[66]  M. Winter,et al.  Where is the lithium? Quantitative determination of the lithium distribution in lithium ion battery cells: Investigations on the influence of the temperature, the C-rate and the cell type , 2017 .

[67]  D. Sauer,et al.  Characterization of high-power lithium-ion batteries by electrochemical impedance spectroscopy. I. Experimental investigation , 2011 .

[68]  C. Merlet,et al.  Molecular Dynamics Simulations of Electrochemical Energy Storage Devices , 2016 .

[69]  Simon F. Schuster,et al.  Nonlinear aging characteristics of lithium-ion cells under different operational conditions , 2015 .

[70]  Ralph E. White,et al.  Solvent Diffusion Model for Aging of Lithium-Ion Battery Cells , 2004 .

[71]  Linda F. Nazar,et al.  Review on electrode–electrolyte solution interactions, related to cathode materials for Li-ion batteries , 2007 .

[72]  M. Doublet,et al.  Atomistic Modeling of Electrode Materials for Li-Ion Batteries: From Bulk to Interfaces , 2016 .

[73]  Phl Peter Notten,et al.  Modeling the SEI-Formation on Graphite Electrodes in LiFePO4 Batteries , 2015 .

[74]  Zhe Li,et al.  A comparative study of commercial lithium ion battery cycle life in electrical vehicle: Aging mechanism identification , 2014 .

[75]  Jian Ma,et al.  A new neural network model for the state-of-charge estimation in the battery degradation process , 2014 .

[76]  M. Armand,et al.  Building better batteries , 2008, Nature.

[77]  Ralph E. White,et al.  Capacity fade analysis of a lithium ion cell , 2008 .

[78]  Remi Petibon,et al.  Studies of the Effect of Varying Vinylene Carbonate (VC) Content in Lithium Ion Cells on Cycling Performance and Cell Impedance , 2013 .

[79]  B. Scrosati,et al.  Lithium and Lithium-Ion Batteries: Challenges and Prospects , 2016 .

[80]  Dirk Uwe Sauer,et al.  Experimental investigation of the lithium-ion battery impedance characteristic at various conditions and aging states and its influence on the application , 2013 .

[81]  Ralph E. White,et al.  Review of Models for Predicting the Cycling Performance of Lithium Ion Batteries , 2006 .

[82]  W. Wall,et al.  Direct Electrochemical Determination of Thermodynamic Factors in Aprotic Binary Electrolytes , 2016 .