U.S. Department of Energy Office of Scientific and Technical Information
Efficient Reformulation of Linear and Nonlinear Solid-Phase Diffusion in Lithium-ion Battery Models using Symmetric Polynomials: Mass Conservation and Computational Efficiency
Journal Article·· Journal of the Electrochemical Society
Lithium-ion batteries are typically modeled using porous electrode theory coupled with various transport and reaction mechanisms, along with suitable discretization or approximations for the solid-phase diffusion equation. The solid-phase diffusion equation represents the main computational burden for typical pseudo-2-dimensional (p2D) models since these equations in the pseudo r -dimension must be solved at each point in the computational grid. This substantially increases the complexity of the model as well as the computational time. Traditional approaches towards simplifying solid-phase diffusion possess certain significant limitations, especially in modeling emerging electrode materials which involve phase changes and variable diffusivities. A computationally efficient representation for solid-phase diffusion is discussed in this paper based on symmetric polynomials using Orthogonal Collocation and Galerkin formulation (weak form). A systematic approach is provided to increase the accuracy of the approximation (p form in finite element methods) to enable efficient simulation with a minimal number of semi-discretized equations, ensuring mass conservation even for non-linear diffusion problems involving variable diffusivities. These methods are then demonstrated by incorporation into the full p2D model, illustrating their advantages in simulating high C-rates and short-time dynamic operation of Lithium-ion batteries.
Thiagarajan, Raghav Sai, et al. "Efficient Reformulation of Linear and Nonlinear Solid-Phase Diffusion in Lithium-ion Battery Models using Symmetric Polynomials: Mass Conservation and Computational Efficiency." Journal of the Electrochemical Society, vol. 170, no. 1, Jan. 2023. https://doi.org/10.1149/1945-7111/acaf41
Thiagarajan, Raghav Sai, Subramaniam, Akshay, Kolluri, Suryanarayana, Garrick, Taylor R., Preger, Yuliya, De Angelis, Valerio, Lim, Jin-hyung, & Subramanian, Venkat R. (2023). Efficient Reformulation of Linear and Nonlinear Solid-Phase Diffusion in Lithium-ion Battery Models using Symmetric Polynomials: Mass Conservation and Computational Efficiency. Journal of the Electrochemical Society, 170(1). https://doi.org/10.1149/1945-7111/acaf41
Thiagarajan, Raghav Sai, Subramaniam, Akshay, Kolluri, Suryanarayana, et al., "Efficient Reformulation of Linear and Nonlinear Solid-Phase Diffusion in Lithium-ion Battery Models using Symmetric Polynomials: Mass Conservation and Computational Efficiency," Journal of the Electrochemical Society 170, no. 1 (2023), https://doi.org/10.1149/1945-7111/acaf41
@article{osti_1916520,
author = {Thiagarajan, Raghav Sai and Subramaniam, Akshay and Kolluri, Suryanarayana and Garrick, Taylor R. and Preger, Yuliya and De Angelis, Valerio and Lim, Jin-hyung and Subramanian, Venkat R.},
title = {Efficient Reformulation of Linear and Nonlinear Solid-Phase Diffusion in Lithium-ion Battery Models using Symmetric Polynomials: Mass Conservation and Computational Efficiency},
annote = { Lithium-ion batteries are typically modeled using porous electrode theory coupled with various transport and reaction mechanisms, along with suitable discretization or approximations for the solid-phase diffusion equation. The solid-phase diffusion equation represents the main computational burden for typical pseudo-2-dimensional (p2D) models since these equations in the pseudo r -dimension must be solved at each point in the computational grid. This substantially increases the complexity of the model as well as the computational time. Traditional approaches towards simplifying solid-phase diffusion possess certain significant limitations, especially in modeling emerging electrode materials which involve phase changes and variable diffusivities. A computationally efficient representation for solid-phase diffusion is discussed in this paper based on symmetric polynomials using Orthogonal Collocation and Galerkin formulation (weak form). A systematic approach is provided to increase the accuracy of the approximation (p form in finite element methods) to enable efficient simulation with a minimal number of semi-discretized equations, ensuring mass conservation even for non-linear diffusion problems involving variable diffusivities. These methods are then demonstrated by incorporation into the full p2D model, illustrating their advantages in simulating high C-rates and short-time dynamic operation of Lithium-ion batteries. },
doi = {10.1149/1945-7111/acaf41},
url = {https://www.osti.gov/biblio/1916520},
journal = {Journal of the Electrochemical Society},
issn = {ISSN 0013-4651},
number = {1},
volume = {170},
place = {United States},
publisher = {The Electrochemical Society},
year = {2023},
month = {01}}