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README.md

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[![crate](https://img.shields.io/crates/v/feos-ad.svg)](https://crates.io/crates/feos-ad)
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[![documentation](https://docs.rs/feos-ad/badge.svg)](https://docs.rs/feos-ad)
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The `FeOs-AD` builds on the implementation of phase equilibrium calculations in `FeOs` to provide implicit automatic differentiation of properties and phase equilibria based on Helmholtz energy equations of state. Derivatives can be determined for any inputs, like temperature or pressure, but also model parameters.
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The `FeOs-AD` crate builds on the implementation of phase equilibrium calculations in `FeOs` to provide implicit automatic differentiation of properties and phase equilibria based on Helmholtz energy equations of state. Derivatives can be determined for any inputs, like temperature or pressure, but also model parameters.
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For now, the most important properties and phase equilibria are implemented:
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- State construction
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- from temperature and pressure
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- from pressure and entropy
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- from pressure and enthalpy
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- critical points
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- Phase equilibria
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- bubble points
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- dew points
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- tp flash
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- Properties
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- pressure, molar entropy, molar enthalpy
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The following models are implemented:
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- PC-SAFT for pure components
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- heterosegmented gc-PC-SAFT for pure components and mixtures
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- The Joback & Reid GC method for ideal gas heat capacities
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## Installation
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Just add the dependency to your `Cargo.toml`
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```
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feos-ad = "0.1"
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```

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