generatejanafpolynomials

Generate JANAF polynomials in CHEMKIN-II format for OpenFOAM

https://github.com/itv-stuttgart/generatejanafpolynomials

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Repository

Generate JANAF polynomials in CHEMKIN-II format for OpenFOAM

Basic Info

Host: GitHub
Owner: ITV-Stuttgart
License: mit
Language: Jupyter Notebook
Default Branch: main
Size: 198 KB

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Open Issues: 0
Releases: 0

Created over 1 year ago · Last pushed over 1 year ago

Metadata Files

Readme License Citation

Generate JANAF Polynoms with CoolProp for OpenFOAM

This library generates CHEMKIN files with JANAF polynomials for a user given list of species and temperature range based on a given thermodynamic library backend. The default thermodynamic library is CoolProp. However, the code can be extended to use other libraries, e.g., NIST RefProp.

Motivation

OpenFOAM uses the CHEMKIN file format to read the reaction, species, and thermodynamic data for reactive flows. The CHEMKIN file reader only supports the gasHThermoPhysics thermo model which is: typedef sutherlandTransport < species::thermo < janafThermo < perfectGas<specie> >, sensibleEnthalpy > > gasHThermoPhysics; Hence, all thermodynamic data needs to be provided as JANAF polynomials according to Eqs. (19-21) in [1]. For the simulation of reacting flashing flows of cryogenic liquids, thermophysical data down to 70K must be known.

Usage

A jupyter notebook file, plotAllSpeciesAndThermoProperties, is provided with this python package which gives an overview how the library can be used.

Requirements

Required python libraries are: - numpy - importlib - pyfluids (CoolProp) - scipy

References

[1] R.J. Kee, F.M. Rupley, and J.A. Miller, "Chemkin-II: A Fortran Chemical Kinetics Package for the Analysis of Gas-Phase Chemical Kinetics", Sandia Report SAND89-8009.UC-401, September 1989

License

Owner

Name: Institute for Reactive Flows
Login: ITV-Stuttgart
Kind: organization

Website: https://www.irst.uni-stuttgart.de/
Repositories: 1
Profile: https://github.com/ITV-Stuttgart

Citation (CITATION.cff)

cff-version: 1.2.0
title: Generate JANAF Polynoms with CoolProp for OpenFOAM
message: 'If you use this software, please cite it as below'
url: "https://github.com/ITV-Stuttgart/genJANAFPolynomials"
authors:
  - given-names: Jan Wilhelm
    family-names: Gärtner
    email: jan-wilhelm.gaertner@irst.uni-stuttgart.de
    affiliation: 'University of Stuttgart'
    orcid: "https://orcid.org/0000-0002-1718-7735"
preferred-citation:
    type: software
    authors:
      - given-names: Jan Wilhelm
        family-names: Gärtner
        email: jan-wilhelm.gaertner@irst.uni-stuttgart.de
        affiliation: 'University of Stuttgart'
        orcid: "https://orcid.org/0000-0002-1718-7735"
    year: 2025
    title: "Generate JANAF Polynoms with CoolProp for OpenFOAM"
    version: 1.0
    date-released: 2025-03-12

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