Trait ResidualDyn

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pub trait ResidualDyn {
    // Required methods
    fn components(&self) -> usize;
    fn compute_max_density<D: DualNum<f64> + Copy>(
        &self,
        molefracs: &DVector<D>,
    ) -> D;
    fn reduced_helmholtz_energy_density_contributions<D: DualNum<f64> + Copy>(
        &self,
        state: &StateHD<D>,
    ) -> Vec<(&'static str, D)>;
}

Expand description

A simple residual Helmholtz energy model for arbitrary many components and no automatic differentiation of model parameters.

This is a shortcut to implementing Residual<Dyn, f64>. To avoid unnecessary cloning, Residual<Dyn, f64> is automatically implemented for all pointer types that deref to the struct implementing ResidualDyn and are Clone (i.e., Rc<T>, Arc<T>, &T, …).

Required Methods§

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fn components(&self) -> usize

Return the number of components in the system.

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fn compute_max_density<D: DualNum<f64> + Copy>( &self, molefracs: &DVector<D>, ) -> D

Return the maximum density in Angstrom^-3.

This value is used as an estimate for a liquid phase for phase equilibria and other iterations. It is not explicitly meant to be a mathematical limit for the density (if those exist in the equation of state anyways).

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fn reduced_helmholtz_energy_density_contributions<D: DualNum<f64> + Copy>( &self, state: &StateHD<D>, ) -> Vec<(&'static str, D)>

Evaluate the reduced Helmholtz energy density of each individual contribution and return them together with a string representation of the contribution.