TEA: A Code for Calculating Thermochemical Equilibrium Abundances
| Autor: | Jasmina Blecic, Joseph Harrington, M. Oliver Bowman |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2015 |
| Předmět: |
010504 meteorology & atmospheric sciences
Iterative method Physics::Instrumentation and Detectors FOS: Physical sciences complex mixtures 01 natural sciences symbols.namesake 0103 physical sciences Code (cryptography) Instrumentation and Methods for Astrophysics (astro-ph.IM) 010303 astronomy & astrophysics 0105 earth and related environmental sciences computer.programming_language Physics Astronomy and Astrophysics Python (programming language) Abundance of the chemical elements Gibbs free energy Computational physics Space and Planetary Science Lagrange multiplier symbols High Energy Physics::Experiment Astrophysics::Earth and Planetary Astrophysics Minification Chemical equilibrium Astrophysics - Instrumentation and Methods for Astrophysics computer |
| Popis: | We present an open-source Thermochemical Equilibrium Abundances (TEA) code that calculates the abundances of gaseous molecular species. The code is based on the methodology of White et al. (1958) and Eriksson (1971). It applies Gibbs free-energy minimization using an iterative, Lagrangian optimization scheme. Given elemental abundances, TEA calculates molecular abundances for a particular temperature and pressure or a list of temperature-pressure pairs. We tested the code against the method of Burrows & Sharp (1999), the free thermochemical equilibrium code CEA (Chemical Equilibrium with Applications), and the example given by White et al. (1958). Using their thermodynamic data, TEA reproduces their final abundances, but with higher precision. We also applied the TEA abundance calculations to models of several hot-Jupiter exoplanets, producing expected results. TEA is written in Python in a modular format. There is a start guide, a user manual, and a code document in addition to this theory paper. TEA is available under a reproducible-research, open-source license via https://github.com/dzesmin/TEA. 14 pages, 8 figures, article is submitted to ApJS, posted on arXiv for public commentary, please send comments to the lead author |
| Databáze: | OpenAIRE |
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