Tea: A Code Calculating Thermochemical Equilibrium Abundances

Keywords

astrochemistry; methods: numerical; molecular processes; planets and satellites: atmospheres; planets and satellites: composition; planets and satellites: gaseous planets

Abstract

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. and Eriksson. 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, the free thermochemical equilibrium code Chemical Equilibrium with Applications (CEA), and the example given by Burrows & Sharp. 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.

Publication Date

7-1-2016

Publication Title

Astrophysical Journal, Supplement Series

Volume

225

Issue

1

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.3847/0067-0049/225/1/4

Socpus ID

84980378574 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/84980378574

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