diff --git a/CHANGELOG.md b/CHANGELOG.md index 87b19b96b..dabc30cb9 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -6,6 +6,9 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ## [Unreleased] +### Added +- Added ePC-SAFT equation of state. [#229](https://github.com/feos-org/feos/pull/229) + ### Changed - Updated model implementations to account for the removal of trait objects for Helmholtz energy contributions and the de Broglie in `feos-core`. [#226](https://github.com/feos-org/feos/pull/226) - Changed Helmholtz energy functions in `PcSaft` contributions so that the temperature-dependent diameter is re-used across different contributions. [#226](https://github.com/feos-org/feos/pull/226) diff --git a/Cargo.toml b/Cargo.toml index 7c765e96c..ef9370268 100644 --- a/Cargo.toml +++ b/Cargo.toml @@ -1,27 +1,19 @@ [package] name = "feos" version = "0.6.1" -authors = [ - "Gernot Bauer ", - "Philipp Rehner ", -] +authors = ["Gernot Bauer ", "Philipp Rehner "] edition = "2021" readme = "README.md" license = "MIT OR Apache-2.0" description = "FeOs - A framework for equations of state and classical density functional theory." homepage = "https://github.com/feos-org" repository = "https://github.com/feos-org/feos" -keywords = [ - "physics", - "thermodynamics", - "equations_of_state", - "phase_equilibria", -] +keywords = ["physics", "thermodynamics", "equations_of_state", "phase_equilibria"] categories = ["science"] [package.metadata.docs.rs] features = ["all_models", "rayon"] -rustdoc-args = ["--html-in-header", "./docs-header.html"] +rustdoc-args = [ "--html-in-header", "./docs-header.html" ] [workspace] members = ["feos-core", "feos-dft", "feos-derive"] @@ -76,24 +68,8 @@ uvtheory = ["lazy_static"] pets = [] saftvrqmie = [] rayon = ["dep:rayon", "ndarray/rayon", "feos-core/rayon", "feos-dft?/rayon"] -python = [ - "pyo3", - "numpy", - "quantity/python", - "feos-core/python", - "feos-dft?/python", - "rayon", -] -all_models = [ - "dft", - "estimator", - "pcsaft", - "epcsaft", - "gc_pcsaft", - "uvtheory", - "pets", - "saftvrqmie", -] +python = ["pyo3", "numpy", "quantity/python", "feos-core/python", "feos-dft?/python", "rayon"] +all_models = ["dft", "estimator", "pcsaft", "epcsaft", "gc_pcsaft", "uvtheory", "pets", "saftvrqmie"] [[bench]] name = "state_properties" diff --git a/README.md b/README.md index 8451e1ed9..b3d6d3490 100644 --- a/README.md +++ b/README.md @@ -36,6 +36,7 @@ The following models are currently published as part of the `FeOs` framework |name|description|eos|dft| |-|-|:-:|:-:| |`pcsaft`|perturbed-chain (polar) statistical associating fluid theory|✓|✓| +|`epcsaft`|electrolyte PC-SAFT|✓|| |`gc-pcsaft`|(heterosegmented) group contribution PC-SAFT|✓|✓| |`pets`|perturbed truncated and shifted Lennard-Jones mixtures|✓|✓| |`uvtheory`|equation of state for Mie fluids and mixtures|✓||