//! uv-theory for fluids interacting with a Mie potential. //! //! # Implementations //! //! ## uv-theory //! //! [van Westen et al. (2021)](https://doi.org/10.1063/5.0073572): utilizing second virial coeffients and Barker-Henderson or Weeks-Chandler-Andersen perturbation. //! #![cfg_attr(not(feature = "uvtheory"), doc = "```ignore")] #![cfg_attr(feature = "uvtheory", doc = "```")] //! # use feos_core::FeosError; //! use feos::uvtheory::{Perturbation, UVTheory, UVTheoryOptions, UVTheoryParameters, UVTheoryRecord}; //! //! let params = UVTheoryRecord::new(24.0, 7.0, 3.0, 150.0); //! //! let default_options = UVTheoryOptions { //! max_eta: 0.5, //! perturbation: Perturbation::WeeksChandlerAndersen, //! }; //! // Define equation of state. //! let uv_wca = &UVTheory::new(UVTheoryParameters::from_model_records(vec![params])?); //! // this is identical to above //! let uv_wca = &UVTheory::with_options(UVTheoryParameters::from_model_records(vec![params])?, default_options); //! //! // use Barker-Henderson perturbation //! let options = UVTheoryOptions { //! max_eta: 0.5, //! perturbation: Perturbation::BarkerHenderson, //! }; //! let uv_bh = UVTheory::with_options(UVTheoryParameters::from_model_records(vec![params])?, options); //! # Ok::<(), FeosError>(()) //! ``` //! //! ## uv-B3-theory //! //! - utilizing third virial coefficients for pure fluids with attractive exponent of 6 and Weeks-Chandler-Andersen perturbation. Manuscript submitted. //! #![cfg_attr(not(feature = "uvtheory"), doc = "```ignore")] #![cfg_attr(feature = "uvtheory", doc = "```")] //! # use feos_core::FeosError; //! use feos::uvtheory::{Perturbation, UVTheory, UVTheoryOptions, UVTheoryParameters, UVTheoryRecord}; //! //! let params = UVTheoryRecord::new(24.0, 6.0, 3.0, 150.0); //! //! let parameters = UVTheoryParameters::from_model_records(vec![params])?; //! //! // use uv-B3-theory //! let options = UVTheoryOptions { //! max_eta: 0.5, //! perturbation: Perturbation::WeeksChandlerAndersenB3, //! }; //! // Define equation of state. //! let uv_b3 = UVTheory::with_options(parameters, options); //! # Ok::<(), FeosError>(()) //! ``` mod eos; mod parameters; pub use eos::{ BarkerHenderson, Perturbation, UVTheory, UVTheoryOptions, WeeksChandlerAndersen, WeeksChandlerAndersenB3, }; pub use parameters::{UVTheoryParameters, UVTheoryRecord};