ReactionMechanismSimulator v0.4.0

• Add support for electrochemistry
• Enable gas-surface multi-domain simulations
• Add tools and algorithms for EdgeAnalysis
• Fixed bug with ReverseDiff.jl when running Adjoint sensitivity analysis
• miscellaneous bugfixes

ReactionMechanismSimulator v0.3.2

Fix compatibility issues

ReactionMechanismSimulator v0.3.1

-RMS extended to be able to run multi-domain simualtions
-Bugfixes related to pyrms and analytic jacobians
-Adjoint Sensitivity Analysis fully functional and optimized
-radical ROP plots added

ReactionMechanismSimulator v0.3.0

-Kinetics vectorization and general performance improvements: factor of 5-6x improvements on domains where rate coefficients need recomputed
-Forward sensitivity analysis reimplemented and adjoint sensitivity analysis added
-Clean up in Domain.jl
-add ConstantTADomain for catalyst sites
-Sparse reformulation of Domains
-Analytic Jacobians
-require python 3.7

ReactionMechanismSimulator v0.2.1

Compatibility Improvements

• Dierckx swapped for SmoothingSplines
• Compatibility requirements loosened

ReactionMechanismSimulator v0.2.0

-added ParametrizedVDomain, ParametrizedPDomain, ParametrizedTPDomain and ParametrizedTConstantVDomain
-add radical awareness
-improve flux diagram visuals
-fix bug in diffusion limit calculations
-update to match new pycall attribute access
-add inlet and outlet interfaces for reactors
-simplify dependencies

ReactionMechanismSimulator v0.1.0

Initial ReactionMechanismSimulator version
-Includes extensive library of rate and thermodynamic property calculators
-Some calculators for viscosity and diffusion
-Includes constant T & P and constant V adiabatic batch reactors
-Includes flux diagram generation
-Includes diffusion limited rates
-Includes constant concentration species
-Basic simulation tools for plotting mole fractions and sensitivities
-Sensitivity analysis for all models
-Jacobians calculated by default using automatic differentiation