CEA (Chemical Equilibrium with Applications)

A modernized version of NASA's Chemical Equilibrium with Applications.

Online documentation and examples are located at https://nasa.github.io/cea/

Overview

The NASA software package CEA (Chemical Equilibrium with Applications) enables the rapid solution of chemical equilibrium problems for complex mixtures. The core solver computes equilibrium product concentrations given a set of reactants and thermodynamic states. These product concentrations are then used to compute the thermodynamic and transport properties of the equilibrium mixture. Applications include estimation of theoretical rocket performance, Chapman-Jouguet detonation characteristics, and shock-tube parameters for incident and reflected shocks. Associated with the program are independent databases with transport and thermodynamic properties of individual species. Over 2000 species are contained in the thermodynamic database.

This software repository is a complete re-implementation of the original CEA software, with initial development supported by the NASA Engineering & Safety Center (NESC). The software represents the latest evolution of a series of computer programs that developed at the NASA Glenn (formerly Lewis) Research Center since the 1950s. The primary goals of the re-implementation were to modernize the CEA code base to adopt modern software engineering practices and improve CEA's ability to interface with other software packages and analysis environments via well-defined programming APIs in multiple languages.

Build and Install

The CEA software package is compiled and installed using CMake v3.19+. The core software has no external dependencies, and is known to build successfully on a wide range of platforms and using the Intel and GNU Fortran compilers. The basic installation process is as follows:

cd <cea_source_dir>
mkdir build && cd build
cmake -DCMAKE_INSTALL_PREFIX=<cea_install_dir> -DCEA_BUILD_TESTING=OFF ..
cmake --build .
cmake --install .

This will build and install the cea executable, libcea library, default thermodynamic and transport property databases, documentation, and sample problems to the user-specified cea_install_dir.

Upon installation, all that is required to use the cea applications is to add the CEA install directory to the user's PATH environment variable, e.g.:

export PATH="<cea_install_dir>/bin:$PATH"

Once properly configured, you should be able to run the provided sample problems from any working directory as follows:

cea <cea_source_dir>/samples/rp1311_examples.inp

Build Prerequisites

To build the Python bindings from source, Ninja is required (scikit-build-core uses the Ninja generator). Ensure ninja is available on your PATH before running pip install . or pip install -e ..

Minimal Builds

If you want a Fortran-only build or a Fortran+C build without Python/Cython/NumPy dependencies, use the presets below.

Fortran-only (no C/Python bindings):

cmake --preset core
cmake --build --preset core
cmake --install build-core

Fortran + C (no Python bindings):

cmake --preset core-c
cmake --build --preset core-c
cmake --install build-core-c

If you are not using presets, set -DCEA_ENABLE_BIND_PYTHON=OFF and also disable the MATLAB wrapper (it forces Python on). For Fortran-only, also set -DCEA_ENABLE_BIND_C=OFF.

Python Binding

The new Python binding provides direct access to compiled CEA routines. The basic installation process is as follows:

cd <cea_source_dir>
pip install .

A binary wheel distribution can also be generated with the following:

cd <cea_source_dir>
pip wheel --no-deps -w dist .

This will build a standalone binary wheel distribution in the ./dist directory. This distribution can then be installed on compatible local hosts with:

pip install path/to/wheel/<wheel-file-name>

The Python binding to CEA has been successfully compiled and executed on macOS, Linux, and Windows systems.

Examples

Legacy CLI (classic .inp deck - run this from the build/source directory):

./cea ../samples/example1

Python example (runs the H2/O2 case after installing the Python bindings):

python source/bind/python/cea/samples/h2_02.py

Manual Database Generation

CEA requires thermodynamic and transport property databases. When using the provided CMake build system, these databases are generated automatically during the build and installed alongside the cea executable. However, in many applications it is necessary to perform calculations with modified versions of the provided databases.

To generate modified databases, run the cea program in compilation mode with the modified thermo.inp and trans.inp files. See the data directory for baseline versions of these files. This will produce thermo.lib and trans.lib in the current directory.

./cea --compile-thermo path/to/thermo.inp
./cea --compile-trans path/to/trans.inp

To use the customized databases, copy them into the working directory where you will be executing the cea program (usually the same directory as the .inp problem definition file). Database files in the working directory will take precedence over the installed database files.

References

1. McBride, B.J., Zehe, M. J., Gordon, S., "NASA Glenn Coefficients for Calculating Thermodynamic Properties of Individual Species", NASA TP-2002-211556, 2002. NTRS
2. McBride, B.J., Gordon, S., and Reno, M.A., "Thermodynamic Data for Fifty Reference Elements", NASA TP-3287/REV1, 2001. NTRS
3. Gordon, S., McBride, B.J., "Thermodynamic Data to 20 000 K for Monatomic Gases", NASA TP-1999-208523, 1999. NTRS
4. Svehla, R.A., "Transport Coefficients for the NASA Lewis Chemical Equilibrium Program", NASA TM-4647, 1995. NTRS
5. McBride, B.J., and Gordon, S., "Computer Program for Calculating and Fitting Thermodynamic Functions", NASA RP-1271, 1992. NTRS