sierras 0.2.1

A tool for empirical Arrhenius equation fitting for thermally-induced physicochemical processes.

sierras

sierras is a tool for empirical Arrhenius equation fitting for thermally-induced physicochemical processes.

Requirements

You need Python 3.8+ to run sierras.

Installation

You can install the most recent stable release of sierras with pip

python -m pip install -U pip
python -m pip install -U sierras

Usage

A simple example of use:

import sierras

k_boltzmann = 8.617333262e-5  # eV / K
areg = sierras.ArrheniusRegressor(k_boltzmann)

areg.fit(Temperatures, target_process)

areg.activation_energy_  # in this case in eV
areg.extrapolated_process_  # extrapolated process at room temperature

areg.plot.arrhenius(Temperatures, target_process)  # plot the fitting

For a more detailed explanation you can read the tutorial and the API.

License

MIT License

Contact info

[e-mail]