exogibbs 0.2.4

Differentiable Thermochemical Equilibrium Solver for Exoplanet Atmospheres

ExoGibbs

Differentiable Thermochemical Equilibrium, powered by JAX.

The optimization scheme is based on the Lagrange multiplier, similar to NASA/CEA algorithm. The terminology follows Smith and Missen, Chemical Reaction Equilibrium Analysis (1983, Wiley-Interscience).

Basic Use

from exogibbs.presets.ykb4 import prepare_ykb4_setup
from exogibbs.api.equilibrium import equilibrium_profile, EquilibriumOptions

# chemical setup
chem = prepare_ykb4_setup()

# Thermodynamic conditions
Pref = 1.0  # bar, reference pressure
opts = EquilibriumOptions(epsilon_crit=1e-11, max_iter=1000)

res = equilibrium_profile(
    chem,
    temperature_profile,
    pressure_profile,
    chem.element_vector,
    Pref=Pref,
    options=opts,
)
nk_result = res.x #mixing ratio

ExoGibbs is designed to plug into ExoJAX and enable gradient-based equilibrium retrievals. It is still in a very beta stage, so please use it at your own risk.