Pyrolysis Model Data Set Contribution for the MaCFP-3 Workshop October 2023

Pyrolysis model data set contribution for the MaCFP-3 workshop October 2023

The contributions are also available via the materials database MaCFP git repository.

For the inverse modelling in general, please see the manuscript "PMMA Pyrolysis Simulation -- from Micro- to Real-Scale"

There are three different ZIP archives provided:

"MaCFP_Gasification" contains the simulations reproducing the NIST Gasification Apparatus for validation of the parameter sets, as requested per MaCFP. There are three different runs conducted, two for the originally submitted parameter sets (BUW-FZJ Approach A/B). No changes to the parameter sets are conducted. A new parameter set is provided to the MaCFP repository (BUW-FZJ PMMA01) and its validation simulations are provided as well.  Furthermore, Jupyter notebooks are provided to process the simulation data.

"PyrolysisKinetics_PMMA01" contains the inverse modelling run to determine the pyrolysis reaction kinetics.

"Thermophysical_PMMA01" contains the inverse modelling run to determine the thermophysical parameters.