GSoC 2018

Implement a 1D plug flow reactor model with surface chemistry for Cantera open source

All the files of GSoC 2018 are included in this folder.

The objectives of my project

1. Derive the governing differential equations and algebraic constraints (DAE) for the 1D plug flow reactor with surface chemistry.
2. Implement the reactor model through python for isothermal model, adiabatic model and etc.

Project progress

1. Derive the DAE system and the initial conditions, simplified them into each specific condition (e.g. isothermal/adiabatic reactor). The details are illustrated in my report.
2. Find the proper solver to solve the DAE system. Here we tried nested CVODE+IDA, nested CVODE+CVODE and single IDA solver, after testing with the results from Richard S. Larson et al. 1996, SAND96-8211, the single IDA solver yields the best agreement.
3. Both of the One step reaction mechanism and multistep reaction mechanism are applied to check the established model, and work great.
4. Clean up my code into an example ipython notebook and plot the important variables varying in the flow direaction. The code can be found here.

Link of blogs and slides of GSoC lightning talks at Seattle

1. Blogs can be found in the post subfolder.
2. The slides can be obtained here.

Future work

1. Except the isothermal and adiabatic model, other models,such as specified Qi and given the temperature profie, can be considered as well, only changing part of the energy balance equation can solve those problems.
2. Integrating the model into Cantera source code will facilitate users to solve such problem.