DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Quantifying the Temperature Dependence of the Multi-Species, Multi-Reaction Model. Part 1: Parameterization for a Meso-Carbon Micro-Bead Graphite

Journal Article · · ECS Advances

In this work, the temperature impact on the Multi-Species, Multi-Reaction (MSMR) model is studied. This is accomplished by acquiring data from slow rate lithiation and delithiation of a meso-carbon micro-bead (MCMB) graphite. The MSMR model is used to simulate linear-sweep voltammetry data of a porous electrode composed of graphite, and because the electrode is close to a state of dynamic equilibrium, the peaks in the differential voltage spectroscopy plot can be analyzed. Through this analysis, the temperature impact on the total fraction of available host sites in a particular MSMR gallery (X j ), the impact on the reference potential (U° j ), and the impact on the parameter detailing the deviation from Nernstian behavior ( ω j ) can be found. This is the first time the temperature dependence of the MSMR parameters have been experimentally analyzed. In Part 2, the impact of the temperature dependence of the MSMR parameters on the entropy coefficient of an intercalation material will be studied.

Sponsoring Organization:
USDOE
Grant/Contract Number:
FE0032144
OSTI ID:
2452833
Journal Information:
ECS Advances, Journal Name: ECS Advances Journal Issue: 4 Vol. 3; ISSN 2754-2734
Publisher:
The Electrochemical SocietyCopyright Statement
Country of Publication:
United Kingdom
Language:
English

References (51)

Comparison between computer simulations and experimental data for high-rate discharges of plastic lithium-ion batteries journal June 2000
Measurement of heat generation rate and heat sources of pouch type Li-ion cells journal May 2021
Electrode scale and electrolyte transport effects on extreme fast charging of lithium-ion cells journal March 2020
Hybridized time-frequency method for the measurement of entropy coefficient of lithium-ion battery journal December 2020
Review of models for predicting the cycling performance of lithium ion batteries journal June 2006
Mathematical modeling of a lithium ion battery with thermal effects in COMSOL Inc. Multiphysics (MP) software journal July 2011
Measurement of two-dimensional heat generation rate of pouch type lithium-ion battery using a multifunctional calorimeter journal June 2022
Characterization and analysis of the effect of pressure on the performance of a large format NMC/C lithium-ion battery journal July 2023
Experimental studies of effects of temperature gradients on performance of pouch type large format NMC/C lithium-ion battery journal December 2023
How Fast Can a Li-Ion Battery Be Charged? Determination of Limiting Fast Charging Conditions journal January 2021
The influence of surface inhomogeneity on the overcharge and lithium plating of graphite electrodes journal December 2019
Thermal-Electrochemical Modeling of Battery Systems journal January 2000
Analysis of Electrochemical and Thermal Behavior of Li-Ion Cells journal January 2003
Electrochemical Analysis of Lithiated Graphite Anodes journal January 2003
Single-Particle Model for a Lithium-Ion Cell: Thermal Behavior journal January 2011
Accounting for Non-Ideal, Lithiation-Based Active Material Volume Change in Mechano-Electrochemical Pouch Cell Simulation journal January 2020
Experimental and Theoretical Examination of Low-Current Overcharge at Lithiated-Graphite Porous Electrodes journal January 2020
Analysis of the Heat Generation Rate of Lithium-Ion Battery Using an Electrochemical Thermal Model journal August 2020
Review—Lithium Plating Detection Methods in Li-Ion Batteries journal December 2020
Modeling Electrochemical Transport within a Three-Electrode System journal January 2021
Slow Current or Potential Scanning of Battery Porous Electrodes: Generalized Perturbation Solution and the Merits of Sinusoidal Current Cycling journal May 2021
Implementation of a Physics-Based Model for Half-Cell Open-Circuit Potential and Full-Cell Open-Circuit Voltage Estimates: Part I. Processing Half-Cell Data journal July 2021
A Mechano-Electrochemical Battery Model that Accounts for Preferential Lithiation Inside Blended Silicon Graphite (Si/C) Anodes journal February 2022
Low Error Estimation of Half-Cell Thermodynamic Parameters from Whole-Cell Li-Ion Battery Experiments: Physics-Based Model Formulation, Experimental Demonstration, and an Open Software Tool journal March 2022
Modeling and Analysis of Heat Generation Rate of a Large Format Pouch-Type Lithium-Ion Battery Considering Degradation journal July 2022
Reduced Order Models Derived from Perturbation Solutions and Applied to a Lithium Ion Intercalation Electrode journal July 2022
Cell Discharge Testing to Calibrate a Positive-Electrode Open-Circuit-Potential Model for Lithium-Ion Cells journal July 2022
Modeling Reversible Expansion of Porous Electrodes in Si/NMC Cells within the Framework of Multi-Species, Multi-Reaction Theory journal November 2022
Inlaying Silicon in SiC-Derived Graphite with Unique Cavity Structure as a High-Capacity Anode for Li-Ion Batteries journal June 2023
Leveraging Molecular Dynamics to Improve Porous Electrode Theory Modeling Predictions of Lithium-Ion Battery Cells journal August 2023
Quantifying Aging-Induced Irreversible Volume Change of Porous Electrodes journal October 2023
From Atoms to Wheels: The Role of Multi-Scale Modeling in the Future of Transportation Electrification journal November 2023
Consistently Tuned Battery Lifetime Predictive Model of Capacity Loss, Resistance Increase, and Irreversible Thickness Growth journal January 2024
Quantifying the Entropy and Enthalpy of Insertion Materials for Battery Applications Via the Multi-Species, Multi-Reaction Model journal February 2024
Application of the Multi-Species, Multi-Reaction Model to Coal-Derived Graphite for Lithium-Ion Batteries journal February 2024
Mathematical Model for a Lithium-Ion Battery with a SiO/Graphite Blended Electrode Based on a Reduced Order Model Derived Using Perturbation Theory journal May 2024
Modeling Overcharge at Graphite Electrodes: Plating and Dissolution of Lithium journal September 2019
Multi-Species, Multi-Reaction Model for Porous Intercalation Electrodes: Part II. Model-Experiment Comparisons for Linear-Sweep Voltammetry of Spinel Lithium Manganese Oxide Electrodes journal January 2019
Modeling Volume Change due to Intercalation into Porous Electrodes journal January 2014
A Parametric Open Circuit Voltage Model for Lithium Ion Batteries journal January 2015
Thermodynamic Model for Substitutional Materials: Application to Lithiated Graphite, Spinel Manganese Oxide, Iron Phosphate, and Layered Nickel-Manganese-Cobalt Oxide journal January 2017
Li-Ion Cell Operation at Low Temperatures journal January 2013
Modeling Volume Change in Dual Insertion Electrodes journal January 2017
Formulation for the Treatment of Multiple Electrochemical Reactions and Associated Speciation for the Lithium-Silicon Electrode journal November 2015
Modeling Battery Performance Due to Intercalation Driven Volume Change in Porous Electrodes journal January 2017
Multi-Species, Multi-Reaction Model for Porous Intercalation Electrodes: Part I. Model Formulation and a Perturbation Solution for Low-Scan-Rate, Linear-Sweep Voltammetry of a Spinel Lithium Manganese Oxide Electrode journal January 2018
The Effect of Volume Change on the Accessible Capacities of Porous Silicon-Graphite Composite Anodes journal January 2019
Python for Electrochemistry: A Free and All-In-One Toolset journal October 2023
Electrochemical-Thermal Modeling of Large-Format, Thin-Film, Lithium-Ion Batteries with Cocurrent and Countercurrent Tab Connections Using a Reduced-Order Model journal October 2023
Modeling Electrochemical Transport within a Three-Electrode System Towards Fast Charge Applications journal October 2022
A Reduced Order Modeling Approach to Capture Transport within a Three-Electrode System Towards Fast Charge Applications journal August 2023