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Implement IdealGasAD for Dippr #357

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Merged
prehner merged 1 commit into from
May 22, 2026
Merged

Implement IdealGasAD for Dippr #357

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1 change: 1 addition & 0 deletions CHANGELOG.md
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Original file line number Diff line number Diff line change
Expand Up @@ -27,6 +27,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
### Added
- Add Rayon global thread pool control via `FEOS_MAX_THREADS` and `set_num_threads()`/ `get_num_threads()` to Python. [#346](https://github.com/feos-org/feos/pull/346)
- Added DIPPR107 parameterization for ideal gas heat capacities of Burkhardt et al. [#344](https://github.com/feos-org/feos/pull/344)
- Implemented `IdealGasAD<D>` for `Dippr`. [#357](https://github.com/feos-org/feos/pull/357)

### Fixed
- Fixed the calculation of temperature and pressure derivatives of dew and bubble points. [#347](https://github.com/feos-org/feos/pull/347)
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24 changes: 23 additions & 1 deletion crates/feos/src/ideal_gas/dippr.rs
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@@ -1,5 +1,5 @@
use feos_core::parameter::Parameters;
use feos_core::{FeosResult, IdealGas};
use feos_core::{FeosResult, IdealGas, IdealGasAD};
use nalgebra::DVector;
use num_dual::DualNum;
use quantity::{JOULE, KELVIN, KILO, MOL, MolarEntropy, Temperature};
Expand Down Expand Up @@ -152,6 +152,28 @@ impl IdealGas for Dippr {
}
}

impl<D: DualNum<f64> + Copy> IdealGasAD<D> for Dippr {
type Real = Self;

type Lifted<D2: DualNum<f64, Inner = D> + Copy> = Self;

fn re(&self) -> Self::Real {
self.clone()
}

fn lift<D2: DualNum<f64, Inner = D> + Copy>(&self) -> Self::Lifted<D2> {
self.clone()
}

fn ln_lambda3(&self, temperature: D) -> D {
IdealGas::ln_lambda3(self, temperature)
}

fn ideal_gas_model(&self) -> &'static str {
"Ideal gas (DIPPR)"
}
}

#[cfg(test)]
mod tests {
use approx::assert_relative_eq;
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