atmodeller 0.6.0

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 please cite (prior to manuscript submission, check back to see if this reference has been updated):

• Bower, D. J., Thompson, M. A., Hakim, K., Tian, M., and Sossi P. A. (2025), Diversity of rocky planet atmospheres in the C-H-O-N-S-Cl system with interior dissolution, non-ideality and condensation: Application to TRAPPIST-1e and sub-Neptunes, The Astrophysical Journal, submitted.

Basic usage

Jupyter notebooks in the notebooks/ directory demonstrate how to perform single and batch calculations, and how to integrate Atmodeller into time-dependent simulations. A simple example of how to use Atmodeller is provided below:

from atmodeller import (
    InteriorAtmosphere,
    Planet,
    Species,
    SpeciesCollection,
    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 = Species.create_gas("H2_g")
H2O_g = Species.create_gas("H2O_g", solubility=solubility_models["H2O_peridotite_sossi23"])
O2_g = Species.create_gas("O2_g")

species = SpeciesCollection((H2_g, H2O_g, O2_g))
planet = Planet()
interior_atmosphere = InteriorAtmosphere(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 density (molecules/m^3)
initial_log_number_density = 50

interior_atmosphere.solve(
    planet=planet,
    initial_log_number_density=initial_log_number_density,
    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")