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GeezerVison is showing feos-org.github.io — FeOs v0.10.5 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
import feos # Build an equation of state parameters = feos.Parameters.from_json(['methanol'], 'parameters.json') eos = feos.EquationOfState.pcsaft(parameters) # Define thermodynamic conditions critical_point = feos.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.
// some imports omitted use feos::core::parameter::{IdentifierOption, Parameters}; use feos::core::{Contributions, State}; use feos::pcsaft::PcSaft; // Build an equation of state let parameters = Parameters::from_json( vec!["methanol"], "parameters.json", None, IdentifierOption::Name, )?; let eos = &PcSaft::new(parameters); // Define thermodynamic conditions let critical_point = State::critical_point(&eos, None, 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¶
Want to learn more?¶
Features¶Equations of State
Implemented equations of state
Density Functional Theory
Extensibility / Usability
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