ExoEOS
Differentiable equations of state for planetary atmospheres and fluids, built with JAX.
The first implementation is a calorically perfect ideal-gas mixture. It provides one small state interface that is intended to remain common to future real-gas models.
Installation
python -m pip install exoeos
Quick start
All public quantities use SI units. Component molar masses are in kg mol-1,
component molar heat capacities are in J mol-1 K-1, temperature is in K, and
pressure is in Pa.
import jax
import jax.numpy as jnp
from exoeos import IdealGas
eos = IdealGas(
molar_masses=jnp.array([2.01588e-3, 4.002602e-3]),
molar_heat_capacities=jnp.array([28.84, 20.786]),
)
x = jnp.array([0.85, 0.15])
state = eos.state(T=1000.0, P=1.0e5, x=x)
state.Z
state.mass_density
state.number_density
state.log_fugacity_coefficients
state.residual_gibbs
state.residual_enthalpy
state.cp
state.cv
state.thermal_expansion
state.adiabatic_gradient
jitted_density = jax.jit(
lambda temperature: eos.state(temperature, 1.0e5, x).mass_density
)
density_gradient = jax.grad(jitted_density)(1000.0)
x contains normalized mole fractions on its last axis. ExoEOS does not
renormalize composition. Component molar masses and heat capacities are
required because T, P, and x alone do not determine mass density or
caloric properties. Reference enthalpies and entropies default to zero; pass
physical reference data when absolute values are needed.
The complete units, shape, reference-state, and transformation contract is in the thermodynamic-state contract.
Development
python -m pip install -e ".[test]"
pytest tests/unittests
The current scope is the ideal gas. Cubic equations of state, including Peng--Robinson, are reserved for later implementations behind the same state contract.
1 maintainer
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