OpenMKM first public release
First public release of OpenMKM.
Reactor models implemented:
- Batch
- CSTR
- PFR (also supports T-profile along axial direction)
Numerical Solvers supported:
- Solves ODEs using CVODES
- Solves DAEs using IDAS
Reactor operational modes are
- Isothermal
- Adiabatic
- External heat source/sink
- Temperature ramp for TPD.
Features supported for heterogeneous catalysis:
- BEPs (Bell Evans Polyanni relations)
- Lateral interactions for coverage dependent specie formation energies.