Fipy and Cantera
From charlesreid1
Cantera Evaluation of Properties
Some notes, from an algorithmic perspective, on hooking up Cantera with a finite-volume solver for computing solutions:
Fipy and Cantera/Algorithm Notes
Fipy-Only Pieces
A simple transient problem with Fipy:
0D Reaction Equation
A Fipy script that will solve a very simple 0D reaction equation:
$ \frac{d C_j }{dt} = \sum_{i=1}^{N_{rxns}} r_{ij} $
with reaction source terms computed by Cantera.
0D Reaction Model: Batch Reactor
Filpy script that solves the 0D reaction equation, as well as other governing equations, for a 0D batch reactor model.
Fipy and Cantera/Batch Reactor
1D Convection-Reaction Equation
Using Fipy+Cantera to solve the one-dimensional convection reaction equation:
Fipy and Cantera/1D Convection Reaction
1D Convection-Reaction Model: Axial Profile
Once you can solve the one-dimensional convection reaction equation, you can reproduce an axial profile model for a PFR.
Fipy and Cantera/PFR Axial Profile Model
1D Diffusion Equation
A 1D diffusion problem solved by Fipy, with diffusion coefficients computed by Cantera. Illustrates how to solve a variable-diffusivity problem and sweep over the solution.