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Arrhenius

We are in an early-development. Expect some adventures and rough edges.

Installation

pkg> add https://github.com/DENG-MIT/Arrhenius.jl

Publication

Applications

  • Sensitivity analysis for auto-ignition | repo | Features: auto-differentiation, multi-threading, sensitivity to all of three Arrhenius params A, b and Ea, active subspace based uncertainty quantification
  • Sensitivity analysis for one-dimensional flames | repo | Features: auto-differentiation, multi-threading, sensitivity to all of three Arrhenius params A, b and Ea.
  • Automonous learn kinetic mechanism using neural network | repo | Features: Chemical Reaction Neural Network (CRNN), Neural Ordinary Differential Equations.
  • Deep Reduction | repo | Features: Two-stages mechanism reduction with deep learning.

Examples

Note that some of the examples are in development and you can have early access by contacting Weiqi Ji

Relevent packages

  • ReactionMechanismSimulator.jl The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
  • Cantera A comprehensive C++ based combustion simulation package and with great python interface. Arrhenius relies on Cantera when it is applicable.