THRUST 4: Numerical Modeling, Test-Bed Prototyping, and Benchmarking


Modeling and simulation of device parameters and material properties, benchmarking and test-bed architectures

The research team in Thrust 4 focuses on the development of test-bed prototypes designed to study material performance under CO2 reduction reaction conditions. 

There are many questions that the team is addressing, for example:

  • How will factors, such as operational temperature, impact the performance of materials and (photo)electrochemical assemblies?
  • What are the target transport properties of membrane separators for CO2 reduction, and how might they be realized using existing or new polymeric materials?
  • How might geometric parameters in 2-dimensional or 3-dimensional test-bed prototypes influence CO2 reduction, and how should such test-beds be designed and operated?
  • How and by what criteria can the activity and selectivity of (photo) electrocatalysts be measured and compared?

The approach involves the following themes:

  • Use of multiphysics modeling and simulation of existing and hypothetical test-bed prototypes.
  • Coupling of transport property measurement, advanced characterization and development of theoretical models for a flexible polymer membrane platform.
  • Rapid test-bed prototyping and associated diagnostics aimed at validating the performance of JCAP-discovered electrocatalysts, photocatalysts and membranes.
  • Establishment of a reliable performance validation and comparisons for CO2RR (photo)electrocatalysts.

Thrust 4 Coordinator is Dr. Adam Weber.