ELECTROCHEMISTERYfuel-cell

Fuel Cells:

The membrane electrode assembly (MEA) of a proton exchange membrane (PEM) consists of various porous layers: gas diffusion layer (GDL), micro porous layer (MPL), catalyst layer (CL) and membrane. GeoDict is used by fuel cell developers to generate detailed three-dimensional geometric models and characterize a number of material properties of these models, with the goal of optimizing each of the layers to its requirements and improving the performance of the cell.

▪PEMFC (Proton Exchange Membrane Fuel Cells)
▪SOFC (Solid Oxide Fuel Cells)

The fuel cell layer models are created with the FiberGeo and GrainGeo modules. The central topic in fuel cell research, water management and the resulting two-phase fluid flow properties, are also addressed with GeoDict .For this, the water is virtually distributed in the structures using the SatuDict module, and various solvers for partial differential equations are applied on the resulting partially saturated structures. Afterwards, the solvers from the GeoDict modules FlowDict , DiffuDict, and ConductoDict can be used to characterize fluid flow, diffusion, and thermal and/or electrical conductivity .

fuel-cells

li-ion-batteries

Li-Ion Batteries:

The structures generator and property prediction modules in GeoDict can be used for the material research for batteries.

▪Objective: Characterize and optimize battery electrode structures through computer simulations.

▪Idea: Improve the micro-structural design of battery electrode materials to increase performance and durability.

▪Solutions: GeoDict allows to create 3D structure models, to determine the material properties, and to find an optimized material through simulation.

▪Material models:

➢ Import and segment CT scans and FIB-SEM data and run simulations directly on the imported data.
➢ Model the micro-structure of battery electrodes.
➢ Export three-dimensional structure models to BEST or other simulation tools.
➢ Modify and optimize pore shapes and grain structures virtually.

▪Geometric characterization:

➢ Evaluate pore size and grain size distribution.
➢ Determine the internal surface area of the electrode material.
➢ Analyze the connectivity and accessibility of pores.

▪Porous transport:

➢ Determine the effective diffusivity of the electrode material.
➢ Find the tortuosity of transport paths.

▪Conductivity:

➢ Determine the effective electrical conductivity of the electrode material.
➢ Compute the ionic conductivity of the electrode.