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OpenMKM first public release

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@mbkumar mbkumar released this 07 Nov 19:55
· 167 commits to master since this release

First public release of OpenMKM.

Reactor models implemented:

  1. Batch
  2. CSTR
  3. PFR (also supports T-profile along axial direction)

Numerical Solvers supported:

  1. Solves ODEs using CVODES
  2. Solves DAEs using IDAS

Reactor operational modes are

  1. Isothermal
  2. Adiabatic
  3. External heat source/sink
  4. Temperature ramp for TPD.

Features supported for heterogeneous catalysis:

  1. BEPs (Bell Evans Polyanni relations)
  2. Lateral interactions for coverage dependent specie formation energies.