Welcome to \(\text{FeO}_\text{s}\)¶

\(\text{FeO}_\text{s}\) is a framework for thermodynamic equations of state (EoS) and classical density functional theory (DFT). It is written in Rust with a Python interface.

Usage¶

Python

from feos.eos import EquationOfState, State
from feos.pcsaft import PcSaftParameters

# Build an equation of state
parameters = PcSaftParameters.from_json(['methanol'], 'parameters.json')
eos = EquationOfState.pcsaft(parameters)

# Define thermodynamic conditions
critical_point = State.critical_point(eos)

# Compute properties
p = critical_point.pressure()
t = critical_point.temperature
print(f'Critical point for methanol: T={t}, p={p}.')

Critical point for methanol: T=531.5 K, p=10.7 MPa.

Rust

// some imports omitted
use feos_core::{State, Contributions};
use feos_core::parameter::{IdentifierOption, Parameter};
use feos::pcsaft::{PcSaft, PcSaftParameters};

// Build an equation of state
let parameters = PcSaftParameters.from_json(
    vec!["methanol"], 
    "parameters.json",
    None,
    IdentifierOption::Name
)?;
let eos = Rc::new(PcSaft::new(Rc::new(parameters)));

// Define thermodynamic conditions
let critical_point = State::critical_point(&eos, None, None, Default::default())?;

// Compute properties
let p = critical_point.pressure(Contributions::Total);
let t = critical_point.temperature;
println!("Critical point for methanol: T={}, p={}.", t, p);

Critical point for methanol: T=531.5 K, p=10.7 MPa.

Getting started¶

Learn how to install the code.
Browse the python tutorials.
Need something specific? May we have a recipe for that.
Questions or comments? We are happy to hear from you!

Want to learn more?¶

Delve into the python API.
Interested in extending the library? Check out our Rust guide!

Features¶