Abstract
The paper proposes an advanced continuum level modelling framework characterized by a more consistent virtual representation of electrode topology to enhance prediction capability and generality of porous electrode theory based models. The proposed modelling framework, therefore, establishes the missing link between the mesoscopic scale with a detailed 3D representation of electrode topology and the continuum single cell scale, where interrelation to the real electrode topology was missing. This link is established by elaborating a unified approach for modelling materials with significantly different topologies of active material by virtually creating agglomerates, representing secondary particles, from primary particles. Proposed approach relies on multi-particle size distribution of primary particles and particle-to-particle connectivity. Generality of the proposed modelling framework is demonstrated by simulating LFP and NMC materials featuring significantly different electrode topologies by the same modelling framework while adapting only virtual representation of electrode topologies and intrinsic material properties. Credibility of the proposed modelling framework is confirmed through good agreement with experimental results for various discharge tests. Insightful simulation results also reveal background of the topologically driven low Li utilization at high current densities of the LFP material and topologically driven voltage response difference during the memory effect of different LFP materials.
Highlights
University of Ljubljana, Faculty of Mechanical Engineering, Laboratory for Internal Combustion Engines and Electromobility, Ljubljana, SI-1000, Slovenia
The results for constant current discharging and the memory effect are validated by experimental results proving the capabilities of the proposed modelling framework to model a wide range of materials, cell designs and operating conditions
An advanced continuum level modelling framework characterized by a more consistent virtual representation of the electrode topology was presented in the paper
Summary
University of Ljubljana, Faculty of Mechanical Engineering, Laboratory for Internal Combustion Engines and Electromobility, Ljubljana, SI-1000, Slovenia. It ensures a more consistent virtual representations of electrode topologies of different materials, the modelling of the redistribution of Li between particles via electrolyte or via direct contact and the capability of implementing a thermodynamically derived active particle equilibrium potential that is dependent on particle size.
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