Struct EquationOfState 

pub struct EquationOfState<I, R> {
    pub ideal_gas: I,
    pub residual: R,
}

An equation of state consisting of an ideal gas model and a residual Helmholtz energy model.

Fields

ideal_gas: I

residual: R

Implementations

impl<I, R> EquationOfState<I, R>

pub fn new(ideal_gas: I, residual: R) -> Self

Return a new EquationOfState with the given ideal gas and residual models.

impl<I> EquationOfState<Vec<I>, NoResidual>

pub fn ideal_gas(ideal_gas: Vec<I>) -> Self

Return a new EquationOfState that only consists of an ideal gas models.

Trait Implementations

impl<I: Clone, R: Clone> Clone for EquationOfState<I, R>

fn clone(&self) -> EquationOfState<I, R>

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl<I, R> Deref for EquationOfState<I, R>

type Target = R

The resulting type after dereferencing.

fn deref(&self) -> &R

Dereferences the value.

impl<I: Clone, R: Residual<Const<N>, D>, D: DualNum<f64> + Copy, const N: usize> Residual<Const<N>, D> for EquationOfState<[I; N], R>

type Real = EquationOfState<[I; N], <R as Residual<Const<N>, D>>::Real>

The residual model with only the real parts of the model parameters.

type Lifted<D2: DualNum<f64, Inner = D> + Copy> = EquationOfState<[I; N], <R as Residual<Const<N>, D>>::Lifted<D2>>

The residual model with the model parameters lifted to a higher dual number.

fn components(&self) -> usize

Return the number of components in the system.

fn re(&self) -> Self::Real

Return the real part of the residual model.

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

Return the lifted residual model.

fn compute_max_density(&self, molefracs: &SVector<D, N>) -> D

Return the maximum density in Angstrom^-3.

fn reduced_helmholtz_energy_density_contributions( &self, state: &StateHD<D, Const<N>>, ) -> 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.

fn reduced_residual_helmholtz_energy_density( &self, state: &StateHD<D, Const<N>>, ) -> D

Evaluate the residual reduced Helmholtz energy density $\beta f^\mathrm{res}$.

fn pure_molefracs() -> OVector<D, N>

Return a generic composition vector for a pure component.

fn helmholtz_energy_contributions( &self, temperature: D, volume: D, moles: &OVector<D, N>, ) -> Vec<(&'static str, D)>

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

fn residual_helmholtz_energy( &self, temperature: D, volume: D, moles: &OVector<D, N>, ) -> D

Evaluate the residual Helmholtz energy $A^\mathrm{res}$.

fn residual_molar_helmholtz_energy( &self, temperature: Temperature<D>, molar_volume: MolarVolume<D>, molefracs: &OVector<D, N>, ) -> MolarEnergy<D>

Evaluate the residual molar Helmholtz energy $a^\mathrm{res}$.

fn max_density<X: Composition<D, N>>( &self, composition: X, ) -> FeosResult<Density<D>>

Calculate the maximum density.

fn second_virial_coefficient<X: Composition<D, N>>( &self, temperature: Temperature<D>, composition: X, ) -> FeosResult<MolarVolume<D>>

Calculate the second virial coefficient $B(T)$

fn third_virial_coefficient<X: Composition<D, N>>( &self, temperature: Temperature<D>, composition: X, ) -> FeosResult<<MolarVolume<D> as Div<Density<D>>>::Output>

Calculate the third virial coefficient $C(T)$

fn second_virial_coefficient_temperature_derivative<X: Composition<D, N>>( &self, temperature: Temperature<D>, composition: X, ) -> FeosResult<<MolarVolume<D> as Div<Temperature<D>>>::Output>

Calculate the temperature derivative of the second virial coefficient $B’(T)$

fn third_virial_coefficient_temperature_derivative<X: Composition<D, N>>( &self, temperature: Temperature<D>, composition: X, ) -> FeosResult<<<MolarVolume<D> as Div<Density<D>>>::Output as Div<Temperature<D>>>::Output>

Calculate the temperature derivative of the third virial coefficient $C’(T)$

fn p_dpdrho( &self, temperature: D, density: D, molefracs: &OVector<D, N>, ) -> (D, D, D)

calculates a_res, p, dp_drho

fn p_dpdrho_dpdt( &self, temperature: D, density: D, molefracs: &OVector<D, N>, ) -> (D, D, D, D, D)

calculates a_res, p, s_res, dp_drho, dp_dt

fn p_dpdrho_d2pdrho2( &self, temperature: D, density: D, molefracs: &OVector<D, N>, ) -> (D, D, D)

calculates p, dp_drho, d2p_drho2

fn dmu_drho( &self, temperature: D, partial_density: &OVector<D, N>, ) -> (D, OVector<D, N>, OVector<D, N>, OMatrix<D, N, N>)

where N: Gradients, DefaultAllocator: Allocator<N, N>,

calculates p, mu_res, dp_drho, dmu_drho

fn dmu_dv( &self, temperature: D, molar_volume: D, molefracs: &OVector<D, N>, ) -> (D, OVector<D, N>, D, OVector<D, N>)

where N: Gradients,

calculates p, mu_res, dp_dv, dmu_dv

fn dmu_dt( &self, temperature: D, partial_density: &OVector<D, N>, ) -> (D, OVector<D, N>)

where N: Gradients,

calculates dp_dt, dmu_res_dt

impl<I, R: ResidualDyn> ResidualDyn for EquationOfState<Vec<I>, R>

fn components(&self) -> usize

Return the number of components in the system.

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

Return the maximum density in Angstrom^-3.

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.

impl<I: Clone, R: Subset> Subset for EquationOfState<Vec<I>, R>

fn subset(&self, component_list: &[usize]) -> Self

Return a model consisting of the components contained in component_list.

impl<I: IdealGasAD<D>, R: Residual<Const<N>, D>, D: DualNum<f64> + Copy, const N: usize> Total<Const<N>, D> for EquationOfState<[I; N], R>

type RealTotal = EquationOfState<[<I as IdealGasAD<D>>::Real; N], <R as Residual<Const<N>, D>>::Real>

type LiftedTotal<D2: DualNum<f64, Inner = D> + Copy> = EquationOfState<[<I as IdealGasAD<D>>::Lifted<D2>; N], <R as Residual<Const<N>, D>>::Lifted<D2>>

fn re_total(&self) -> Self::RealTotal

fn lift_total<D2: DualNum<f64, Inner = D> + Copy>( &self, ) -> Self::LiftedTotal<D2>

fn ideal_gas_model(&self) -> &'static str

fn ln_lambda3(&self, temperature: D) -> SVector<D, N>

fn ideal_gas_molar_helmholtz_energy( &self, temperature: D, molar_volume: D, molefracs: &OVector<D, N>, ) -> D

fn ideal_gas_helmholtz_energy( &self, temperature: Temperature<D>, volume: MolarVolume<D>, moles: &OVector<D, N>, ) -> MolarEnergy<D>