https://github.com/combustiontoolbox/combustion_pytoolbox

A Python based open-source tool for solving gaseous combustion problems
https://github.com/combustiontoolbox/combustion_pytoolbox

chemical-equilibrium chemical-equilibrium-calculations combustion numerical-codes python thermochemical-code thermochemistry

Last synced: about 1 month ago
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A Python based open-source tool for solving gaseous combustion problems

• Host: GitHub
• URL: https://github.com/combustiontoolbox/combustion_pytoolbox
• Owner: CombustionToolbox
• License: gpl-3.0
• Created: 2020-06-22T09:23:58.000Z (over 4 years ago)
• Default Branch: master
• Last Pushed: 2023-11-13T17:35:00.000Z (about 1 year ago)
• Last Synced: 2024-03-29T13:27:57.163Z (9 months ago)
• Topics: chemical-equilibrium, chemical-equilibrium-calculations, combustion, numerical-codes, python, thermochemical-code, thermochemistry
• Language: Python
• Homepage:
• Size: 4.78 MB
• Stars: 4
• Watchers: 2
• Forks: 3
• Open Issues: 11
• Metadata Files:
  • Readme: README.md
  • Contributing: CONTRIBUTING.md
  • License: LICENSE.md

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README

        
# Combustion PyToolbox

![repo size](https://img.shields.io/github/repo-size/AlbertoCuadra/Combustion-PyToolbox) ![last modified](https://img.shields.io/github/last-commit/AlbertoCuadra/Combustion-PyToolbox) ![license](https://img.shields.io/github/license/AlbertoCuadra/Combustion-PyToolbox)

A Python based thermochemical code

:top: There is also a (more complete) [MATLAB version](https://github.com/AlbertoCuadra/combustion_toolbox)

## Introduction

As a first step towards the development of a wider-scope thermochemical tool, in this work we present a thermochemical code with application to gaseous combustion problems recently implemented by the authors in MATLAB and Python. The Python version solves, for the moment, six chemical equilibrium problems (`TP, HP, SP, TV, EV and SV transformations`; where T denotes temperature, P pressure, H enthalpy, S entropy, E internal energy and V volume), always assuming ideal gases in all cases.

---

⚠️ **NOTE**

At the moment, the Python version does not have all the capabilities that the MATLAB version has. I will continue with the development of this version adding all the remaining capabilities. I will also add a GUI using Qt6 and Pyside6.

---

The code computes the equilibrium composition by minimization of the Gibbs–Helmholtz free energy by using Lagrange multipliers, and employs NASA’s 9-coefficient polynomial fits to evaluate the thermodynamic properties. Results computed with **Combustion PyToolbox** have been validated against, and are in good agreement with, NASA’s Chemical Equilibrium with Applications (CEA) program and CANTERA.

The `MATLAB version` `also solves` `incident and reflected planar shock waves`, as well as `ideal detonations` according to Chapman-Jouguet theory and overdriven detonations, assuming always ideal gases in all cases. Along with the plain code, the new tool has been `equipped with a Graphical User Interface` developed in MATLAB 2021 under AppDesigner.

This project is also part of the PhD of [Alberto Cuadra-Lara](https://acuadralara.com/).

  

## Contributing

Please read [CONTRIBUTING.md](https://github.com/AlbertoCuadra/ThermochemicalCode_Python/blob/master/CONTRIBUTING.md) for details on our code of conduct, and the process for submitting pull requests to us.

Please send feedback or inquiries to [[email protected]](mailto:[email protected])

Thank you for testing Combustion PyToolbox!

## Developers

* **[Alberto Cuadra-Lara](https://acuadralara.com/)** - *Main Developer*

* **César Huete** - *Developer*  

* **Marcos Vera** - *Developer*  

Grupo de Mecánica de Fluidos, Universidad Carlos III de Madrid, Av. Universidad 30, 28911, Leganés, Spain

See also the list of [contributors](https://github.com/AlbertoCuadra/combustion_toolbox/blob/master/CONTRIBUTORS.md) who participated in this project.