A three-dimensional meso-macroscopic model for Li-Ion intercalation batteries

Allu, S.; Kalnaus, S.; Simunovic, S.; Nanda, J.; Turner, J. A.; Pannala, S.

doi:10.1016/j.jpowsour.2016.06.001

A three-dimensional meso-macroscopic model for Li-Ion intercalation batteries

Journal Article · Thu Jun 09 00:00:00 EDT 2016 · Journal of Power Sources

DOI:https://doi.org/10.1016/j.jpowsour.2016.06.001· OSTI ID:1261302

Allu, S. ^[1]; Kalnaus, S. ^[1]; Simunovic, S. ^[1]; Nanda, J. ^[1]; Turner, J. A. ^[1]; Pannala, S. ^[2]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computer Science and Mathematics Division
SABIC, Houston, TX (United States)

Through this study, we present a three-dimensional computational formulation for electrode-electrolyte-electrode system of Li-Ion batteries. The physical consistency between electrical, thermal and chemical equations is enforced at each time increment by driving the residual of the resulting coupled system of nonlinear equations to zero. The formulation utilizes a rigorous volume averaging approach typical of multiphase formulations used in other fields and recently extended to modeling of supercapacitors [1]. Unlike existing battery modeling methods which use segregated solution of conservation equations and idealized geometries, our unified approach can model arbitrary battery and electrode configurations. The consistency of multi-physics solution also allows for consideration of a wide array of initial conditions and load cases. The formulation accounts for spatio-temporal variations of material and state properties such as electrode/void volume fractions and anisotropic conductivities. The governing differential equations are discretized using the finite element method and solved using a nonlinearly consistent approach that provides robust stability and convergence. The new formulation was validated for standard Li-ion cells and compared against experiments. Finally, its scope and ability to capture spatio-temporal variations of potential and lithium distribution is demonstrated on a prototypical three-dimensional electrode problem.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1261302

Alternate ID(s):: OSTI ID: 1325345

Journal Information:: Journal of Power Sources, Journal Name: Journal of Power Sources Vol. 325; ISSN 0378-7753

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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