pyglenn — Thermochemical Properties Calculator

pyglenn computes \(C_p(T)\), \(H^\circ(T)\), and \(S^\circ(T)\) from NASA polynomial coefficients stored in a SQLite database, converted from FORTRAN thermo.inp files.

Contents

Quick Start

Installation

pip install pyglenn

Or via conda:

conda install conda-forge::pyglenn

Basic Usage

The database is bundled — no manual setup required:

from pyglenn import ThermochemicalCalculator

with ThermochemicalCalculator() as calc:
    result = calc.calculate_properties(
        calc.get_available_species('CH4')[0]['id'], 298.15
    )
    print(f"Cp = {result['cp']:.3f} J/mol·K")
    print(f"H° = {result['h_relative']:.3f} J/mol")
    print(f"S° = {result['s']:.3f} J/mol·K")

Features

  • Compute \(C_p(T)\), \(H^\circ(T)\), \(S^\circ(T)\) for any species

  • SQLite database bundled with ~2030 species, 3772 temperature intervals — no setup needed

  • CLI interface for quick lookups

  • Temperature range validation

Citing

If you use pyglenn in your research, please cite it as:

@software{goncalves_leao_junior_2026_21324586,
  author    = {Gonçalves Leão Junior, Reginaldo},
  title     = {pyglenn: A Python Toolkit for Thermochemical
               Properties Calculation from NASA Polynomials},
  month     = jul,
  year      = 2026,
  publisher = {Zenodo},
  doi       = {10.5281/zenodo.21324586},
  url       = {https://doi.org/10.5281/zenodo.21324586},
}
Author:

Dr. Reginaldo G. Leão Jr. — prof.reginaldo.leao@gmail.com

GitHub:

github.com/ProfLeao/pyglenn

Documentation:

profleao.github.io/pyglenn

Indices and tables