python-thermodata
This repository contains Python code for interfacing with the library of thermodynamic data distributed with the NASA Glenn computer program, CEA (Chemical Equilibrium with Applications), by Bonnie J. McBride and Sanford Gordon.
CEA is a FORTRAN program for calculation of complex chemical equilibrium compositions and applications, available on the web. Its thermodynamic database contains data for over 2000 chemical species in both gasoues and condensed state. The data are expressed as least-squares coefficients of a polynomial function of temperature over defined temperature intervals. The coefficients were generated by another NASA Glenn program, PAC (Properties and Coefficients), from a wide range of source data.
This code is intended to serve as a Python-native way of accessing and representing the data with some basic functionality including:
- Tabulating data.
- Generating subsets of the original data format for use with CEA or other programs designed to read from the source.
- Searching/browsing capability.
Note that ThermoBuild provides this functionality and in a more user-friendly manner. However, it is not suited for programmatic access to and employment of the data. Currently this code essentially emulates the basic features of ThermoBuild.
TODO
- CEA program interface.
- Limit scope to molar output.