OpenCCM is a CFD-based compartment modelling software package. It is primarily intended for convection dominated reactive flows which feature a weak or one-way coupling between the reactive species and the carrier fluid, i.e. the reaction does not substantially influence the fluid flow over the course of the simulation.
Adding support for (systems of) chemical reactions which includes:
Custom parser to parse reactions and rate constants from reactions configuration file (with invalid input checking to ensure reactions config was properly constructed)
Generator to create runtime function explicitly defining the (transient) differential equations for each specie in the simulation which will contribute to the overall mass balance equation
Adding support for (systems of) chemical reactions which includes: