Metadata-Version: 2.5
Name: ctkinetics
Version: 0.0.1.dev0
Summary: Steady-state catalytic CSTR-chain simulation on Cantera, with surface-coverage warm-starts for stiff convergence, reactor sensitivity, and the degree of rate control
Project-URL: Homepage, https://github.com/haruyuki-oda/ctkinetics
Project-URL: Repository, https://github.com/haruyuki-oda/ctkinetics
Project-URL: Issues, https://github.com/haruyuki-oda/ctkinetics/issues
Author-email: Haruyuki Oda <oda.haruyuki.44n@asagi.waseda.jp>
Maintainer-email: Haruyuki Oda <oda.haruyuki.44n@gmail.com>
License: GPL-3.0-or-later
License-File: LICENSE
Keywords: cantera,chemical-kinetics,degree-of-rate-control,heterogeneous-catalysis,microkinetics,reactor-simulation,sensitivity-analysis
Classifier: Development Status :: 1 - Planning
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.12
Description-Content-Type: text/markdown

# ctkinetics

Steady-state catalytic CSTR-chain simulation on [Cantera](https://cantera.org/),
with reactor sensitivity analysis and the Campbell degree of rate control.

## Status: placeholder release

**This release (`0.0.1.dev0`) is a name placeholder and contains no
simulation code.** It exists so that the `ctkinetics` name on PyPI is held
by the project's author while the first full release is being prepared.

Installing it gives you package metadata and a single generic helper. The
reactor, solver, and analysis API is not importable yet.

The first full release will accompany the publication describing the
method. Until then, please do not depend on this package.

## Planned scope

The full release will solve an n-element catalytic CSTR chain from a
Cantera mechanism and a validated parameter object, and report:

- converged reactor profiles and performance
- reactor sensitivity analysis
- the Campbell degree of rate control (X_RC)
- a gas-phase equilibrium reference computed from the mechanism

## Author

Haruyuki Oda — [ORCID 0000-0002-8181-9856](https://orcid.org/0000-0002-8181-9856)
(Waseda University; NIMS)

## License

GPL-3.0-or-later. See [LICENSE](LICENSE).
