atmodeller 1.0.0

Volatile partitioning between a rocky interior and atmosphere

Atmodeller

About

Atmodeller is a Python package that uses JAX to compute the partitioning of volatiles between a planetary atmosphere and its rocky interior. It is released under The GNU General Public License v3.0 or later.

Documentation

The documentation is available online, with options to download it in EPUB or PDF format:

https://atmodeller.readthedocs.io/en/latest/

Quick install

Atmodeller is a Python package that can be installed on a variety of platforms (e.g. Mac, Windows, Linux). It is recommended to install Atmodeller in a dedicated Python environment. Before installation, create and activate the environment, then run:

pip install atmodeller

Downloading the source code is also recommended if you'd like access to the example notebooks in notebooks/.

Citation

If you use Atmodeller, or data from Atmodeller, please cite:

• Bower, D. J., Thompson, M. A., Hakim, K., Tian, M., and Sossi, P. A. (2025), Diversity of low-mass planet atmospheres in the C–H–O–N–S–Cl system with interior dissolution, nonideality and condensation: Application to TRAPPIST-1e and sub-Neptunes, The Astrophysical Journal, 995(1), 59, doi: https://www.doi.org/10.3847/1538-4357/ae1479. ArXiv e-print 2507.00499.

The data from the above study are also available for download at https://doi.org/10.17605/OSF.IO/PC5TD.

Basic usage

Several Jupyter notebooks providing examples are in the notebooks/ directory. A simple example of how to use Atmodeller is provided below:

from atmodeller import (
    EquilibriumModel,
    Planet,
    ChemicalSpecies,
    SpeciesNetwork,
    earth_oceans_to_hydrogen_mass,
)
from atmodeller.solubility import get_solubility_models

solubility_models = get_solubility_models()
# Get the available solubility models
print("solubility models = ", solubility_models.keys())

H2_g = ChemicalSpecies.create_gas("H2")
H2O_g = ChemicalSpecies.create_gas("H2O", solubility=solubility_models["H2O_peridotite_sossi23"])
O2_g = ChemicalSpecies.create_gas("O2")

species = SpeciesNetwork((H2_g, H2O_g, O2_g))
planet = Planet()
interior_atmosphere = EquilibriumModel(species)

oceans = 1
h_kg = earth_oceans_to_hydrogen_mass(oceans)
o_kg = 6.25774e20
mass_constraints = {"H": h_kg, "O": o_kg}

# If you do not specify an initial solution guess then a default will be used
# Initial solution guess number moles
initial_log_number_moles = 50

interior_atmosphere.solve(
    planet=planet,
    initial_log_number_moles=initial_log_number_moles,
    mass_constraints=mass_constraints,
)
output = interior_atmosphere.output

# Quick look at the solution
solution = output.quick_look()

# Get complete solution as a dictionary
solution_asdict = output.asdict()
print("solution_asdict =", solution_asdict)

# Write the complete solution to Excel
output.to_excel("example_single")

Funding

Atmodeller was created as part of a SERI-funded ERC Starting grant '2ATMO' granted to P. Sossi (Contract no. MB22.00033), with additional funding provided through a Swiss National Science Foundation (SNSF) Eccellenza Professorship (#203668).

K. Hakim acknowledges the FED-tWIN research program STELLA (Prf-2021-022) funded by the Belgian Science Policy Office (BELSPO) and the research grant G014425N funded by the Research Foundation Flanders (FWO).