Struct feos_core::PhaseEquilibrium

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pub struct PhaseEquilibrium<U, E, const N: usize>(_);

Expand description

A thermodynamic equilibrium state.

The struct is parametrized over the number of phases with most features being implemented for the two phase vapor/liquid or liquid/liquid case.

Implementations

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impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 2>

Bubble and dew point calculations

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pub fn bubble_point_tx(
 eos: &Rc<E>,
 temperature: QuantityScalar,
 pressure: Option<QuantityScalar>,
 liquid_molefracs: &Array1<f64>,
 vapor_molefracs: Option<&Array1<f64>>,
 options: (VLEOptions, VLEOptions )
) -> EosResult<Self> where
 QuantityScalar: Display,

Calculate a phase equilibrium for a given temperature and composition of the liquid phase.

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pub fn bubble_point_px(
 eos: &Rc<E>,
 pressure: QuantityScalar,
 temperature: Option<QuantityScalar>,
 liquid_molefracs: &Array1<f64>,
 vapor_molefracs: Option<&Array1<f64>>,
 options: (VLEOptions, VLEOptions )
) -> EosResult<Self> where
 QuantityScalar: Display,

Calculate a phase equilibrium for a given pressure and composition of the liquid phase.

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pub fn dew_point_tx(
 eos: &Rc<E>,
 temperature: QuantityScalar,
 pressure: Option<QuantityScalar>,
 vapor_molefracs: &Array1<f64>,
 liquid_molefracs: Option<&Array1<f64>>,
 options: (VLEOptions, VLEOptions )
) -> EosResult<Self> where
 QuantityScalar: Display,

Calculate a phase equilibrium for a given temperature and composition of the vapor phase.

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pub fn dew_point_px(
 eos: &Rc<E>,
 pressure: QuantityScalar,
 temperature: Option<QuantityScalar>,
 vapor_molefracs: &Array1<f64>,
 liquid_molefracs: Option<&Array1<f64>>,
 options: (VLEOptions, VLEOptions )
) -> EosResult<Self> where
 QuantityScalar: Display,

Calculate a phase equilibrium for a given pressure and composition of the vapor phase.

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impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 3> where
QuantityScalar: Display + LowerExp,

Heteroazeotropes

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pub fn heteroazeotrope_t(
 eos: &Rc<E>,
 temperature: QuantityScalar,
 x_init: (f64, f64 ),
 options: VLEOptions,
 bubble_dew_options: (VLEOptions, VLEOptions )
) -> EosResult<Self>

Calculate a heteroazeotrope (three phase equilbrium) for a binary system and given temperature.

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pub fn heteroazeotrope_p(
 eos: &Rc<E>,
 pressure: QuantityScalar,
 x_init: (f64, f64 ),
 options: VLEOptions,
 bubble_dew_options: (VLEOptions, VLEOptions )
) -> EosResult<Self>

Calculate a heteroazeotrope (three phase equilbrium) for a binary system and given pressure.

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impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 2>

Flash calculations

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pub fn tp_flash(
 eos: &Rc<E>,
 temperature: QuantityScalar,
 pressure: QuantityScalar,
 feed: &QuantityArray1,
 init_vle_state: Option<&PhaseEquilibrium<U, E, 2>>,
 options: VLEOptions,
 non_volatile_components: Option<Vec<usize>>
) -> EosResult<Self>

Perform a Tp-flash calculation. If no initial values are given, the solution is initialized using a stability analysis.

The algorithm can be use to calculate phase equilibria of systems containing non-volatile components (e.g. ions).

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impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 2>

Pure component phase equilibria

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pub fn pure_t(
 eos: &Rc<E>,
 temperature: QuantityScalar,
 initial_state: Option<&PhaseEquilibrium<U, E, 2>>,
 options: VLEOptions
) -> EosResult<Self> where
 QuantityScalar: Display + LowerExp,

Calculate a phase equilibrium for a pure component and given temperature.

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pub fn pure_p(
 eos: &Rc<E>,
 pressure: QuantityScalar,
 initial_state: Option<&Self>,
 options: VLEOptions
) -> EosResult<Self> where
 QuantityScalar: Display + LowerExp,

Calculate a phase equilibrium for a pure component and given pressure.

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impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 2>

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pub fn vapor_pressure(
 eos: &Rc<E>,
 temperature: QuantityScalar
) -> Vec<Option<QuantityScalar>>ⓘ
Notable traits for Vec<u8, A>
`impl<A> Write for Vec<u8, A> where A: Allocator,`
where
 QuantityScalar: Display + LowerExp,

Calculate the pure component vapor pressures of all components in the system for the given temperature.

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pub fn boiling_temperature(
 eos: &Rc<E>,
 pressure: QuantityScalar
) -> Vec<Option<QuantityScalar>>ⓘ
Notable traits for Vec<u8, A>
`impl<A> Write for Vec<u8, A> where A: Allocator,`
where
 QuantityScalar: Display + LowerExp,

Calculate the pure component boiling temperatures of all components in the system for the given pressure.

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pub fn vle_pure_comps_t(
 eos: &Rc<E>,
 temperature: QuantityScalar
) -> Vec<Option<PhaseEquilibrium<U, E, 2>>>ⓘ
Notable traits for Vec<u8, A>
`impl<A> Write for Vec<u8, A> where A: Allocator,`
where
 QuantityScalar: Display + LowerExp,

Calculate the pure component phase equilibria of all components in the system for the given temperature.

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pub fn vle_pure_comps_p(
 eos: &Rc<E>,
 pressure: QuantityScalar
) -> Vec<Option<PhaseEquilibrium<U, E, 2>>>ⓘ
Notable traits for Vec<u8, A>
`impl<A> Write for Vec<u8, A> where A: Allocator,`
where
 QuantityScalar: Display + LowerExp,

Calculate the pure component phase equilibria of all components in the system for the given pressure.

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impl<U, E, const N: usize> PhaseEquilibrium<U, E, N> where
 QuantityScalar: Display,
 QuantityArray1: Display,
 E: EquationOfState,

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pub fn update_chemical_potential(
&mut self,
chemical_potential: &QuantityArray1
) -> EosResult<()>

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impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 2>

Utility functions

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pub fn is_trivial_solution(state1: &State<U, E>, state2: &State<U, E>) -> bool

Check if the two states form a trivial solution

Trait Implementations

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impl<U: Clone, E, const N: usize> Clone for PhaseEquilibrium<U, E, N>

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fn clone(&self) -> Self

Returns a copy of the value. Read more

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

Performs copy-assignment from source. Read more

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impl<U: Debug, E: Debug, const N: usize> Debug for PhaseEquilibrium<U, E, N>

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fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter. Read more

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impl<U, E, const N: usize> Display for PhaseEquilibrium<U, E, N> where
 QuantityScalar: Display,
 QuantityArray1: Display,
 E: EquationOfState,

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fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter. Read more

Auto Trait Implementations

impl<U, E, const N: usize> !RefUnwindSafe for PhaseEquilibrium<U, E, N>

impl<U, E, const N: usize> !Send for PhaseEquilibrium<U, E, N>

impl<U, E, const N: usize> !Sync for PhaseEquilibrium<U, E, N>

impl<U, E, const N: usize> Unpin for PhaseEquilibrium<U, E, N> where
U: Unpin,

impl<U, E, const N: usize> UnwindSafe for PhaseEquilibrium<U, E, N> where
E: RefUnwindSafe,
U: UnwindSafe,

Blanket Implementations

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

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pub fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more

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

const: unstable · source

pub fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more

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

const: unstable · source

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

Mutably borrows from an owned value. Read more

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impl<T> From<T> for T

const: unstable · source

pub fn from(t: T) -> T

Performs the conversion.

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

const: unstable · source

pub fn into(self) -> U

Performs the conversion.

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

type Owned = T

The resulting type after obtaining ownership.

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pub fn to_owned(&self) -> T

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

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

🔬 This is a nightly-only experimental API. (toowned_clone_into)

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

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impl<T> ToString for T where
T: Display + ?Sized,

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pub default fn to_string(&self) -> String

Converts the given value to a String. Read more

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

type Error = Infallible

The type returned in the event of a conversion error.

const: unstable · source

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

Performs the conversion.

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

type Error = >::Error

The type returned in the event of a conversion error.

const: unstable · source

pub fn try_into(self) -> Result<U, >::Error>

Performs the conversion.

Struct feos_core::PhaseEquilibrium

Implementations

impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 2>

pub fn bubble_point_tx( eos: &Rc<E>, temperature: QuantityScalar<U>, pressure: Option<QuantityScalar<U>>, liquid_molefracs: &Array1<f64>, vapor_molefracs: Option<&Array1<f64>>, options: (VLEOptions, VLEOptions)) -> EosResult<Self> where QuantityScalar<U>: Display,

pub fn bubble_point_px( eos: &Rc<E>, pressure: QuantityScalar<U>, temperature: Option<QuantityScalar<U>>, liquid_molefracs: &Array1<f64>, vapor_molefracs: Option<&Array1<f64>>, options: (VLEOptions, VLEOptions)) -> EosResult<Self> where QuantityScalar<U>: Display,

pub fn dew_point_tx( eos: &Rc<E>, temperature: QuantityScalar<U>, pressure: Option<QuantityScalar<U>>, vapor_molefracs: &Array1<f64>, liquid_molefracs: Option<&Array1<f64>>, options: (VLEOptions, VLEOptions)) -> EosResult<Self> where QuantityScalar<U>: Display,

pub fn dew_point_px( eos: &Rc<E>, pressure: QuantityScalar<U>, temperature: Option<QuantityScalar<U>>, vapor_molefracs: &Array1<f64>, liquid_molefracs: Option<&Array1<f64>>, options: (VLEOptions, VLEOptions)) -> EosResult<Self> where QuantityScalar<U>: Display,

impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 3> where QuantityScalar<U>: Display + LowerExp,

pub fn heteroazeotrope_t( eos: &Rc<E>, temperature: QuantityScalar<U>, x_init: (f64, f64), options: VLEOptions, bubble_dew_options: (VLEOptions, VLEOptions)) -> EosResult<Self>

pub fn heteroazeotrope_p( eos: &Rc<E>, pressure: QuantityScalar<U>, x_init: (f64, f64), options: VLEOptions, bubble_dew_options: (VLEOptions, VLEOptions)) -> EosResult<Self>

impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 2>

pub fn tp_flash( eos: &Rc<E>, temperature: QuantityScalar<U>, pressure: QuantityScalar<U>, feed: &QuantityArray1<U>, init_vle_state: Option<&PhaseEquilibrium<U, E, 2>>, options: VLEOptions, non_volatile_components: Option<Vec<usize>>) -> EosResult<Self>

impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 2>

pub fn pure_t( eos: &Rc<E>, temperature: QuantityScalar<U>, initial_state: Option<&PhaseEquilibrium<U, E, 2>>, options: VLEOptions) -> EosResult<Self> where QuantityScalar<U>: Display + LowerExp,

pub fn pure_p( eos: &Rc<E>, pressure: QuantityScalar<U>, initial_state: Option<&Self>, options: VLEOptions) -> EosResult<Self> where QuantityScalar<U>: Display + LowerExp,

impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 2>

pub fn vapor_pressure( eos: &Rc<E>, temperature: QuantityScalar<U>) -> Vec<Option<QuantityScalar<U>>>ⓘNotable traits for Vec<u8, A>impl<A> Write for Vec<u8, A> where A: Allocator, where QuantityScalar<U>: Display + LowerExp,

pub fn boiling_temperature( eos: &Rc<E>, pressure: QuantityScalar<U>) -> Vec<Option<QuantityScalar<U>>>ⓘNotable traits for Vec<u8, A>impl<A> Write for Vec<u8, A> where A: Allocator, where QuantityScalar<U>: Display + LowerExp,

pub fn vle_pure_comps_t( eos: &Rc<E>, temperature: QuantityScalar<U>) -> Vec<Option<PhaseEquilibrium<U, E, 2>>>ⓘNotable traits for Vec<u8, A>impl<A> Write for Vec<u8, A> where A: Allocator, where QuantityScalar<U>: Display + LowerExp,

pub fn vle_pure_comps_p( eos: &Rc<E>, pressure: QuantityScalar<U>) -> Vec<Option<PhaseEquilibrium<U, E, 2>>>ⓘNotable traits for Vec<u8, A>impl<A> Write for Vec<u8, A> where A: Allocator, where QuantityScalar<U>: Display + LowerExp,

impl<U, E, const N: usize> PhaseEquilibrium<U, E, N> where QuantityScalar<U>: Display, QuantityArray1<U>: Display, E: EquationOfState,

pub fn _repr_markdown_(&self) -> String

impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 2>

pub fn vapor(&self) -> &State<U, E>

pub fn liquid(&self) -> &State<U, E>

impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 3>

pub fn vapor(&self) -> &State<U, E>

pub fn liquid1(&self) -> &State<U, E>

pub fn liquid2(&self) -> &State<U, E>

impl<U: EosUnit, E: EquationOfState, const N: usize> PhaseEquilibrium<U, E, N>

pub fn update_chemical_potential( &mut self, chemical_potential: &QuantityArray1<U>) -> EosResult<()>

impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 2>

pub fn is_trivial_solution(state1: &State<U, E>, state2: &State<U, E>) -> bool

Trait Implementations

impl<U: Clone, E, const N: usize> Clone for PhaseEquilibrium<U, E, N>

fn clone(&self) -> Self

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

impl<U: Debug, E: Debug, const N: usize> Debug for PhaseEquilibrium<U, E, N>

fn fmt(&self, f: &mut Formatter<'_>) -> Result

impl<U, E, const N: usize> Display for PhaseEquilibrium<U, E, N> where QuantityScalar<U>: Display, QuantityArray1<U>: Display, E: EquationOfState,

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Auto Trait Implementations

impl<U, E, const N: usize> !RefUnwindSafe for PhaseEquilibrium<U, E, N>

impl<U, E, const N: usize> !Send for PhaseEquilibrium<U, E, N>

impl<U, E, const N: usize> !Sync for PhaseEquilibrium<U, E, N>

impl<U, E, const N: usize> Unpin for PhaseEquilibrium<U, E, N> where U: Unpin,

impl<U, E, const N: usize> UnwindSafe for PhaseEquilibrium<U, E, N> where E: RefUnwindSafe, U: UnwindSafe,

Blanket Implementations

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

pub fn type_id(&self) -> TypeId

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

pub fn borrow(&self) -> &T

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

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

impl<T> From<T> for T

pub fn from(t: T) -> T

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

pub fn into(self) -> U

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

type Owned = T

pub fn to_owned(&self) -> T

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

impl<T> ToString for T where T: Display + ?Sized,

pub default fn to_string(&self) -> String

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

type Error = Infallible

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

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

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

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

impl<V, T> VZip<V> for T where V: MultiLane<T>,

pub fn vzip(self) -> V

pub fn bubble_point_tx(
eos: &Rc<E>,
temperature: QuantityScalar<U>,
pressure: Option<QuantityScalar<U>>,
liquid_molefracs: &Array1<f64>,
vapor_molefracs: Option<&Array1<f64>>,
options: (VLEOptions, VLEOptions )
) -> EosResult<Self> where
QuantityScalar<U>: Display,

pub fn bubble_point_px(
eos: &Rc<E>,
pressure: QuantityScalar<U>,
temperature: Option<QuantityScalar<U>>,
liquid_molefracs: &Array1<f64>,
vapor_molefracs: Option<&Array1<f64>>,
options: (VLEOptions, VLEOptions )
) -> EosResult<Self> where
QuantityScalar<U>: Display,

pub fn dew_point_tx(
eos: &Rc<E>,
temperature: QuantityScalar<U>,
pressure: Option<QuantityScalar<U>>,
vapor_molefracs: &Array1<f64>,
liquid_molefracs: Option<&Array1<f64>>,
options: (VLEOptions, VLEOptions )
) -> EosResult<Self> where
QuantityScalar<U>: Display,

pub fn dew_point_px(
eos: &Rc<E>,
pressure: QuantityScalar<U>,
temperature: Option<QuantityScalar<U>>,
vapor_molefracs: &Array1<f64>,
liquid_molefracs: Option<&Array1<f64>>,
options: (VLEOptions, VLEOptions )
) -> EosResult<Self> where
QuantityScalar<U>: Display,

impl<U: EosUnit, E: EquationOfState> PhaseEquilibrium<U, E, 3> where
QuantityScalar<U>: Display + LowerExp,

pub fn heteroazeotrope_t(
eos: &Rc<E>,
temperature: QuantityScalar<U>,
x_init: (f64, f64 ),
options: VLEOptions,
bubble_dew_options: (VLEOptions, VLEOptions )
) -> EosResult<Self>

pub fn heteroazeotrope_p(
eos: &Rc<E>,
pressure: QuantityScalar<U>,
x_init: (f64, f64 ),
options: VLEOptions,
bubble_dew_options: (VLEOptions, VLEOptions )
) -> EosResult<Self>

pub fn tp_flash(
eos: &Rc<E>,
temperature: QuantityScalar<U>,
pressure: QuantityScalar<U>,
feed: &QuantityArray1<U>,
init_vle_state: Option<&PhaseEquilibrium<U, E, 2>>,
options: VLEOptions,
non_volatile_components: Option<Vec<usize>>
) -> EosResult<Self>

pub fn pure_t(
eos: &Rc<E>,
temperature: QuantityScalar<U>,
initial_state: Option<&PhaseEquilibrium<U, E, 2>>,
options: VLEOptions
) -> EosResult<Self> where
QuantityScalar<U>: Display + LowerExp,

pub fn pure_p(
eos: &Rc<E>,
pressure: QuantityScalar<U>,
initial_state: Option<&Self>,
options: VLEOptions
) -> EosResult<Self> where
QuantityScalar<U>: Display + LowerExp,

pub fn vapor_pressure(
eos: &Rc<E>,
temperature: QuantityScalar<U>
) -> Vec<Option<QuantityScalar<U>>>ⓘ
Notable traits for Vec<u8, A>
`impl<A> Write for Vec<u8, A> where A: Allocator,`
where
QuantityScalar<U>: Display + LowerExp,

pub fn boiling_temperature(
eos: &Rc<E>,
pressure: QuantityScalar<U>
) -> Vec<Option<QuantityScalar<U>>>ⓘ
Notable traits for Vec<u8, A>
`impl<A> Write for Vec<u8, A> where A: Allocator,`
where
QuantityScalar<U>: Display + LowerExp,

pub fn vle_pure_comps_t(
eos: &Rc<E>,
temperature: QuantityScalar<U>
) -> Vec<Option<PhaseEquilibrium<U, E, 2>>>ⓘ
Notable traits for Vec<u8, A>
`impl<A> Write for Vec<u8, A> where A: Allocator,`
where
QuantityScalar<U>: Display + LowerExp,

pub fn vle_pure_comps_p(
eos: &Rc<E>,
pressure: QuantityScalar<U>
) -> Vec<Option<PhaseEquilibrium<U, E, 2>>>ⓘ
Notable traits for Vec<u8, A>
`impl<A> Write for Vec<u8, A> where A: Allocator,`
where
QuantityScalar<U>: Display + LowerExp,

impl<U, E, const N: usize> PhaseEquilibrium<U, E, N> where
QuantityScalar<U>: Display,
QuantityArray1<U>: Display,
E: EquationOfState,

pub fn update_chemical_potential(
&mut self,
chemical_potential: &QuantityArray1<U>
) -> EosResult<()>

impl<U, E, const N: usize> Display for PhaseEquilibrium<U, E, N> where
QuantityScalar<U>: Display,
QuantityArray1<U>: Display,
E: EquationOfState,

impl<U, E, const N: usize> Unpin for PhaseEquilibrium<U, E, N> where
U: Unpin,

impl<U, E, const N: usize> UnwindSafe for PhaseEquilibrium<U, E, N> where
E: RefUnwindSafe,
U: UnwindSafe,

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

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

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

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

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

impl<T> ToString for T where
T: Display + ?Sized,

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

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

impl<V, T> VZip<V> for T where
V: MultiLane<T>,