Arrhenius.jl

Arrhenius.jl provides Julia-native tools for chemical kinetics and reacting-flow calculations. It reads gas-phase chemistry, species thermodynamics, and reaction rates directly from Cantera YAML. Optional NPZ sidecars provide transport fits. Cantera is not required at calculation time.

Start here

• Installation explains how to add the package and prepare a mechanism.
• Mechanisms describes supported mechanism data and sidecars.
• Zero-dimensional reactors introduces ignition calculations and ODE solver integration.
• One-dimensional flames covers flame types, transport, and discretization.
• Solver options documents refinement, time stepping, and transport controls.
• Examples indexes runnable examples by application.
• Validation methods explains code-parity and solution-accuracy comparisons.
• API reference lists exported types and functions.

Capability overview

The package includes ideal-gas thermochemistry, kinetics, equilibrium and sound-speed calculations; constant-pressure and constant-volume reactors; reactor networks; planar and opposed-flow flames; catalytic and ionized models; transport, plasma, porous-media, pure-water, and real-gas tools. See the examples index for entry points.

Citation

W. Ji, X. Su, B. Pang, S. J. Cassady, A. M. Ferris, Y. Li, Z. Ren, R. Hanson, S. Deng, “Arrhenius.jl: A Differentiable Combustion Simulation Package”, arXiv:2107.06172 [physics.chem-ph], 2021.

@misc{ji2021arrhenius,
  title         = {Arrhenius.jl: A Differentiable Combustion Simulation Package},
  author        = {Ji, Weiqi and Su, Xingyu and Pang, Bin and Cassady, Sean Joseph and Ferris, Alison M. and Li, Yujuan and Ren, Zhuyin and Hanson, Ronald and Deng, Sili},
  year          = {2021},
  eprint        = {2107.06172},
  archivePrefix = {arXiv},
  primaryClass  = {physics.chem-ph},
  url           = {https://arxiv.org/abs/2107.06172}
}