PFR

[NellyMitnik]

Given experimental data in a specific csv format (attached in files folder), simulate outlet concentrations from PFR over a range of temperatures.
In the following example, experimental data was taken from 2021 paper for furfuryl pyrolysis in PFR.
The simulation was carried out for furfuryl oxidation. This script might help in future investigations.

[alongd]

Closing as superseded: general PFR simulation now lives natively in T3 (t3/simulate/cantera_pfr.py and cantera_pfr_t_profile.py), which is the maintained path for this. This notebook is also not reproducible as committed — it reads files/paper_2021_2FFOH_PFR.csv, but that CSV isn't in the branch (only the JPGs and mechanism output.yaml are), and it's hardcoded to the furfuryl project. Most of the diff is one-off output (a 7.4k-line mechanism + result plots) that we now keep out of the repo. If a standalone, generic Cantera PFR example under Cantera/ is wanted, it's best written fresh against current T3. Thanks @NellyMitnik!