pyglenn Labbook — Thermochemical Worked Examples

A collection of ten elaborated, self-contained Jupyter notebooks demonstrating the pyglenn thermochemical properties calculator. pyglenn reconstructs the standard-state molar properties \(C_p^\circ(T)\), \(H^\circ(T)\) and \(S^\circ(T)\) from NASA (Glenn) polynomial coefficients stored in a bundled SQLite database (~2030 species, 3772 temperature intervals).

Installation

Install pyglenn and its companion scientific libraries:

pip install pyglenn
pip install numpy pandas matplotlib scipy

Or, using conda / mamba:

conda install -c conda-forge pyglenn numpy pandas matplotlib scipy
# or, using the conda-forge channel specifier:
conda install conda-forge::pyglenn numpy pandas matplotlib scipy

To install from source:

git clone https://github.com/ProfLeao/pyglenn.git
cd pyglenn
pip install .

About

About the data

  • pyglenn’s h_relative (calculate_properties(...)['h_relative']) is the standardized molar enthalpy on the NASA scale — it already includes the enthalpy of formation. Consequently reference-state elements read \(H^\circ(298.15\,\mathrm{K}) \approx 0\), compounds read their \(\Delta_f H^\circ\), and reaction enthalpies are simple stoichiometric sums.

  • In the bundled database the dedicated heat_of_formation_298K column is not populated, so calculate_formation_enthalpy() returns None. Notebook 04 shows how to obtain \(\Delta_f H^\circ\) from h_relative at 298.15 K instead.

Citing

If you use this repository in your research or teaching, please cite it via Zenodo:

Gonçalves Leão Junior, R. (2026). pyglenn-notebooks. Zenodo. https://doi.org/10.5281/zenodo.21324685