Title: Reaction kinetics versus transport mechanisms: Assessing the rate-limiting factor in high-temperature PMMA pyrolysis for chemical recycling – Supplementary dataset
Authors:  Stefan Pielsticker, Konstantinos Gfall, Rafael Solana Gomez, Reinhold Kneer, Wilko Rohlfs 
DOI: https://doi.org/10.18154/RWTH-2026-03676


The files contain experimental data and numerical simulation output. A detailed description of the setup, boundary conditions, and evaluation routine is given in the correlated article: 

Reaction kinetics versus transport mechanisms: Assessing the rate-limiting factor in high-temperature PMMA pyrolysis for chemical recycling
Stefan Pielsticker, Konstantinos Gfall, Rafael Solana Gomez, Reinhold Kneer, Wilko Rohlfs
Fuel, 2026   
DOI: 10.1016/j.fuel.2026.139902

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File list:
- 'Description.txt' (this file)

Experimental data:
- 'Yields.csv' : Calculated product yields (in kg/kgPMMA) obtained from the online FTIR measurement of 13 different gas species at 10 different reactor temperatures ranging from 623 K to 1073 K 
- 'VolatileRates_XXXK.csv' : Calculated total volatile release rate (in 1/s) and standard deviation as a function of time obtained from the online FTIR measurement of 13 different gas species (10 files with 'XXX' representing the respective reactor temperature).
 
Numerical data:
- 'internal+external_resistances_XXXK.csv' : Simulation output data including local temperature and conversion both as a function of radius and time (10 files with 'XXX' representing the respective reactor temperature). The simulations are carried out with both thermal resistances (external convection and internal conduction) being present.  
- 'internal_resistance_XXXK.csv' : Simulation output data including local temperature and conversion both as a function of radius and time (10 files with 'XXX' representing the respective reactor temperature). The simulations are carried out with only the internal thermal resistance (limited conduction but unlimted convection) being present. 
- 'external_resistance_XXXK.csv' : Simulation output data including local temperature and conversion both as a function of radius and time (10 files with 'XXX' representing the respective reactor temperature). The simulations are carried out with only the external thermal resistance (limited convection but unlimted conduction) being present.
- 'strong_internal_resistance_XXXK.csv' : Simulation output data including local temperature and conversion both as a function of radius and time (10 files with 'XXX' representing the respective reactor temperature). The simulations are carried out with only the internal thermal resistance (strongly limited conduction due to 0.1 thermal conductivity of reference case) being present.
- 'Al2O3_shell_XXXK.csv' : Simulation output data including local temperature and conversion both as a function of radius and time (10 files with 'XXX' representing the respective reactor temperature). The simulations are carried out with an Al2O3 shell around the PMMA particle.

         


         
