PlanarInterface

feos_dft::interface

Struct PlanarInterface 

Source 
pub struct PlanarInterface<F: HelmholtzEnergyFunctional> {
    pub profile: DFTProfile<Ix1, F>,
    pub vle: PhaseEquilibrium<F, 2>,
    pub surface_tension: Option<SurfaceTension>,
    pub equimolar_radius: Option<Length>,
}
Expand description

Density profile and properties of a planar interface.

Fields§

§profile: DFTProfile<Ix1, F>§vle: PhaseEquilibrium<F, 2>§surface_tension: Option<SurfaceTension>§equimolar_radius: Option<Length>

Implementations§

Source§

impl<F: HelmholtzEnergyFunctional> PlanarInterface<F>

Source

pub fn solve_inplace( &mut self, solver: Option<&DFTSolver>, debug: bool, ) -> FeosResult<()>

Source

pub fn solve(self, solver: Option<&DFTSolver>) -> FeosResult<Self>

Source§

impl<F: HelmholtzEnergyFunctional> PlanarInterface<F>

Source

pub fn new(vle: &PhaseEquilibrium<F, 2>, n_grid: usize, l_grid: Length) -> Self

Source

pub fn from_tanh( vle: &PhaseEquilibrium<F, 2>, n_grid: usize, l_grid: Length, critical_temperature: Temperature, fix_equimolar_surface: bool, ) -> Self

Source

pub fn from_pdgt( vle: &PhaseEquilibrium<F, 2>, n_grid: usize, fix_equimolar_surface: bool, ) -> FeosResult<Self>

Source§

impl<F: HelmholtzEnergyFunctional> PlanarInterface<F>

Source

pub fn shift_equimolar_inplace(&mut self)

Source

pub fn shift_equimolar(self) -> Self

Source

pub fn relative_adsorption(&self) -> Moles<Array2<f64>>

Relative adsorption of component i' with respect to j’: \Gamma_i^(j)

Source

pub fn interfacial_enrichment(&self) -> Array1<f64>

Interfacial enrichment of component `i’: E_i

Source

pub fn interfacial_thickness(&self) -> FeosResult<Length>

Interface thickness (90-10 number density difference)

Source

pub fn set_density_inplace(&mut self, init: &Density<Array2<f64>>, scale: bool)

Source

pub fn set_density(self, init: &Density<Array2<f64>>, scale: bool) -> Self

Trait Implementations§

Source§

impl<F: Clone + HelmholtzEnergyFunctional> Clone for PlanarInterface<F>

Source§

fn clone(&self) -> PlanarInterface<F>

Returns a duplicate of the value. Read more
1.0.0 · Source§

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

Performs copy-assignment from source. Read more

Auto Trait Implementations§

§

impl<F> !Freeze for PlanarInterface<F>

§

impl<F> !RefUnwindSafe for PlanarInterface<F>

§

impl<F> Send for PlanarInterface<F>
where F: Send,

§

impl<F> Sync for PlanarInterface<F>
where F: Sync,

§

impl<F> Unpin for PlanarInterface<F>
where F: Unpin,

§

impl<F> !UnwindSafe for PlanarInterface<F>

Blanket Implementations§

Source§

impl<T> Any for T
where T: 'static + ?Sized,

Source§

fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more
Source§

impl<T> Borrow<T> for T
where T: ?Sized,

Source§

fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more
Source§

impl<T> BorrowMut<T> for T
where T: ?Sized,

Source§

fn borrow_mut(&mut self) -> &mut T

Mutably borrows from an owned value. Read more
Source§

impl<T> CloneToUninit for T
where T: Clone,

Source§

unsafe fn clone_to_uninit(&self, dest: *mut u8)

🔬This is a nightly-only experimental API. (clone_to_uninit)
Performs copy-assignment from self to dest. Read more
Source§

impl<T> From<T> for T

Source§

fn from(t: T) -> T

Returns the argument unchanged.

Source§

impl<T, U> Into<U> for T
where U: From<T>,

Source§

fn into(self) -> U

Calls U::from(self).

That is, this conversion is whatever the implementation of From<T> for U chooses to do.

Source§

impl<T> IntoEither for T

Source§

fn into_either(self, into_left: bool) -> Either<Self, Self>

Converts self into a Left variant of Either<Self, Self> if into_left is true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more
Source§

fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
where F: FnOnce(&Self) -> bool,

Converts self into a Left variant of Either<Self, Self> if into_left(&self) returns true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more
Source§

impl<T> Pointable for T

Source§

const ALIGN: usize

The alignment of pointer.
Source§

type Init = T

The type for initializers.
Source§

unsafe fn init(init: <T as Pointable>::Init) -> usize

Initializes a with the given initializer. Read more
Source§

unsafe fn deref<'a>(ptr: usize) -> &'a T

Dereferences the given pointer. Read more
Source§

unsafe fn deref_mut<'a>(ptr: usize) -> &'a mut T

Mutably dereferences the given pointer. Read more
Source§

unsafe fn drop(ptr: usize)

Drops the object pointed to by the given pointer. Read more
Source§

impl<T> PropertiesAD for T

Source§

fn vapor_pressure<const P: usize>( &self, temperature: Quantity<f64, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, ATerm>>>>>>>>, ) -> Result<Quantity<DualVec<f64, f64, Const<P>>, <<<TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output>, FeosError>
where Self: Residual<Const<1>, DualVec<f64, f64, Const<P>>>,

Source§

fn equilibrium_liquid_density<const P: usize>( &self, temperature: Quantity<f64, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, ATerm>>>>>>>>, ) -> Result<(Quantity<DualVec<f64, f64, Const<P>>, <<<TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output>, Quantity<DualVec<f64, f64, Const<P>>, <TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, ATerm>>>>>>> as Sub<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output>), FeosError>
where Self: Residual<Const<1>, DualVec<f64, f64, Const<P>>>,

Source§

fn liquid_density<const P: usize>( &self, temperature: Quantity<f64, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, ATerm>>>>>>>>, pressure: Quantity<f64, <<<TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output>, ) -> Result<Quantity<DualVec<f64, f64, Const<P>>, <TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, ATerm>>>>>>> as Sub<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output>, FeosError>
where Self: Residual<Const<1>, DualVec<f64, f64, Const<P>>>,

Source§

fn bubble_point_pressure<const P: usize>( &self, temperature: Quantity<f64, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, ATerm>>>>>>>>, pressure: Option<Quantity<f64, <<<TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output>>, liquid_molefracs: Matrix<f64, Const<2>, Const<1>, ArrayStorage<f64, 2, 1>>, ) -> Result<Quantity<DualVec<f64, f64, Const<P>>, <<<TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output>, FeosError>
where Self: Residual<Const<2>, DualVec<f64, f64, Const<P>>>,

Source§

fn dew_point_pressure<const P: usize>( &self, temperature: Quantity<f64, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, ATerm>>>>>>>>, pressure: Option<Quantity<f64, <<<TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output>>, vapor_molefracs: Matrix<f64, Const<2>, Const<1>, ArrayStorage<f64, 2, 1>>, ) -> Result<Quantity<DualVec<f64, f64, Const<P>>, <<<TArr<Z0, TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output as Sub<<<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>> as Add>::Output as Add<TArr<Z0, TArr<PInt<UInt<UTerm, B1>>, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, TArr<Z0, ATerm>>>>>>>>>::Output>>::Output>, FeosError>
where Self: Residual<Const<2>, DualVec<f64, f64, Const<P>>>,

Source§

impl<T> Same for T

Source§

type Output = T

Should always be Self
Source§

impl<SS, SP> SupersetOf<SS> for SP
where SS: SubsetOf<SP>,

Source§

fn to_subset(&self) -> Option<SS>

The inverse inclusion map: attempts to construct self from the equivalent element of its superset. Read more
Source§

fn is_in_subset(&self) -> bool

Checks if self is actually part of its subset T (and can be converted to it).
Source§

fn to_subset_unchecked(&self) -> SS

Use with care! Same as self.to_subset but without any property checks. Always succeeds.
Source§

fn from_subset(element: &SS) -> SP

The inclusion map: converts self to the equivalent element of its superset.
Source§

impl<T> ToOwned for T
where T: Clone,

Source§

type Owned = T

The resulting type after obtaining ownership.
Source§

fn to_owned(&self) -> T

Creates owned data from borrowed data, usually by cloning. Read more
Source§

fn clone_into(&self, target: &mut T)

Uses borrowed data to replace owned data, usually by cloning. Read more
Source§

impl<T, U> TryFrom<U> for T
where U: Into<T>,

Source§

type Error = Infallible

The type returned in the event of a conversion error.
Source§

fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>

Performs the conversion.
Source§

impl<T, U> TryInto<U> for T
where U: TryFrom<T>,

Source§

type Error = <U as TryFrom<T>>::Error

The type returned in the event of a conversion error.
Source§

fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>

Performs the conversion.