Pore-scale Modeling of Battery and Fuel Cell Performance Webinar
NSERC CREATE ME2
Materials for Electrochemical Energy Solutions
Waterloo Electrochemical Society Student Chapter
July 29th , 2020
10 – 11am MST
We are pleased to invite you to join the NSERC CREATE ME2 and Waterloo Electrochemical Society Student Chapter (WatECS) for a webinar created to discuss the pore-scale modeling of electrochemical devices, with a focus on the structure-performance of lithium-ion cathode materials and PEMFC catalyst layers. This talk will focus on the pore network approach to modeling electrodes at the pore scale, which offers the ability to study the structure-performance relationship in substantially less computational time than conventional computational approaches.
This webinar will be delivered by Dr. Jeff Gostick, Associate Professor, Department of Chemical Engineering, at The University of Waterloo. Dr. Gostick leads the Porous Materials Engineering & Analysis Lab (PMEAL), and his group is the lead developer of OpenPNM and PoreSpy, two open-source software packages for studying porous materials at the pore-scale.
The presentation will outline the general approach for pore network modelling of the complex multiphysics involved in electrode reactions. Starting with the extraction of networks from tomograms (both traditional solid-void binary images as well as multiphase images of Li-ion cathodes consisting of void, active material, and binder), leading into the construction of accurate representations of the pore network structure, followed by a description of the mathematics of the physics being considered and discussion of some developments in implementing true multiphysics within the PNM framework.
The presentation will then introduce, via case studies, several of the recent accomplishments that his group have made using PNMs. Firstly, fuel cell catalyst layers result will be presented. This was conducted using networks obtained from pFIB-SEM serial sections, which produces images with 2nm voxel resolution. The incorporation of partitioning at the gas-ionomer interface and the role of ionomer thin films in ion conduction are both accessible within this model. Next, Dr. Gostick will discuss the application of PNMs to Li-ion cathodes. This work was done in collaboration with Electrochemical Innovation Lab at University College of London (UCL). Network models were extracted from 3-phase tomograms including void, active material, and the carbon binder phase, and validated against direct numerical simulation. Preliminary results will be shown highlighting the ability of PNMs to simulate transient discharge behavior in Li-ion.