wallytutor / paper-kinetics-c2h2-phd

Analysis of acetylene kinetics under conditions relevant to gas carburizing

Analysis of acetylene pyrolysis

Analysis of acetylene kinetics under conditions relevant to gas carburizing. The study is conducted with a DRG skeletal mechanism and comprise both PFR 1-D simulations and 3-D CFD cases. All cases are validated experimentally and data is made available for verification.

Data explored in this paper is provided in my PhD thesis, mainly in Chapter 5. The kinetics mechanisms used in this study are provided in different formats at:

• DRG skeletal mechanism tested in this work
• Norinaga's reference detailed mechanism

Summary of calculations

• Verification of mechanisms with PSR models with Cantera and chemFoam
• Simulation of experimental conditions with a non-isothermal PFR
• Extension to real geometry of reactor with OpenFOAM

To-do's

• Validate new release of PFR model with wall temperature / simulate.
• Migrate FOAM case preparation from Python to Julia (majordome).
• Run FOAM mesh convergence/simulations and extract results.
• Add Graf (2007) as a baseline comparison to paper.
• Export mechanism with pyJac and benchmark in FOAM.
• Finish paper text and publish.