SoftwareApplication
name: MATLAB model of multiscale model for CO2 electrolysis
description: MATLAB model of multiscale model for CO2 electrolysis
description: This Matlab script is a multi-scale modelling framework (ranging from the single channel scale over the electrolyser scale to the process scale) embedded in a techno-economic analysis for a CO2 electrolyser as described in the manuscript "Techno-economic assessment of CO2 electrolysis: How interdependencies propagate across scales" and the Chapter 4 of the PhD dissertation of Bagemihl. This framework allows to optimise the electrolyser performance under economic considerations and is the first of its kind which does not consider the electrolyser as blackbox. Instead mass transfer effects along the channel length are taken into account via the multi-scale model. This code is for the exemplary case of CO2 to ethylene conversion with the only side product being hydrogene. The code can be adapted for other catalysts and reactants by changing the kinetics in the single channel scale model.
author: https://orcid.org/0000-0001-7884-0323
author: Person
  given name: V.
  family name: Van Steijn
  name: V. Van Steijn
author: Person
  given name: Lucas
  family name: Cammann
  name: Lucas Cammann
author: https://orcid.org/0000-0002-1132-4014
author: https://orcid.org/0000-0002-9156-0761
keywords: CO2 electrolysis
keywords: Techno-economic analysis
keywords: Multiscale model
license:
  creative work: creativeWork
    name: CC-BY-NC-ND-4.0
reference publication: acssuschemeng.3c02226

https://orcid.org/0000-0001-7884-0323
type: Person
given name: J.Ruud
family name: van Ommen
name: J.Ruud van Ommen

https://orcid.org/0000-0002-1132-4014
type: Person
given name: Mar
family name: Pérez-Fortes
name: Mar Pérez-Fortes

https://orcid.org/0000-0002-9156-0761
type: Person
given name: Isabell
family name: Bagemihl
name: Isabell Bagemihl

acssuschemeng.3c02226
type: ScholarlyArticle
name: Techno-economic Assessment of CO2 Electrolysis: How Interdependencies between Model Variables Propagate Across Different Modeling Scales
pagination: 10130-10141
url: https://doi.org/10.1021%2Facssuschemeng.3c02226