Struct PhaseEquilibrium

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pub struct PhaseEquilibrium<E, const N: usize>(/* private fields */);
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.

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impl<E: Residual> PhaseEquilibrium<E, 2>

§Bubble and dew point calculations

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pub fn bubble_point<TP: TemperatureOrPressure>( eos: &Arc<E>, temperature_or_pressure: TP, liquid_molefracs: &Array1<f64>, tp_init: Option<TP::Other>, vapor_molefracs: Option<&Array1<f64>>, options: (SolverOptions, SolverOptions), ) -> EosResult<Self>

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

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pub fn dew_point<TP: TemperatureOrPressure>( eos: &Arc<E>, temperature_or_pressure: TP, vapor_molefracs: &Array1<f64>, tp_init: Option<TP::Other>, liquid_molefracs: Option<&Array1<f64>>, options: (SolverOptions, SolverOptions), ) -> EosResult<Self>

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

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impl<E: Residual> PhaseEquilibrium<E, 3>

§Heteroazeotropes

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pub fn heteroazeotrope<TP: TemperatureOrPressure>( eos: &Arc<E>, temperature_or_pressure: TP, x_init: (f64, f64), tp_init: Option<TP::Other>, options: SolverOptions, bubble_dew_options: (SolverOptions, SolverOptions), ) -> EosResult<Self>

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

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impl<E: Residual> PhaseEquilibrium<E, 2>

§Flash calculations

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pub fn tp_flash( eos: &Arc<E>, temperature: Temperature, pressure: Pressure, feed: &Moles<Array1<f64>>, initial_state: Option<&PhaseEquilibrium<E, 2>>, options: SolverOptions, 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<E: Residual> PhaseEquilibrium<E, 2>

§Pure component phase equilibria

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pub fn pure<TP: TemperatureOrPressure>( eos: &Arc<E>, temperature_or_pressure: TP, initial_state: Option<&PhaseEquilibrium<E, 2>>, options: SolverOptions, ) -> EosResult<Self>

Calculate a phase equilibrium for a pure component.

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impl<E: Residual> PhaseEquilibrium<E, 2>

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pub fn vapor_pressure( eos: &Arc<E>, temperature: Temperature, ) -> Vec<Option<Pressure>>

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: &Arc<E>, pressure: Pressure, ) -> Vec<Option<Temperature>>

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<TP: TemperatureOrPressure>( eos: &Arc<E>, temperature_or_pressure: TP, ) -> Vec<Option<PhaseEquilibrium<E, 2>>>

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

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impl<E: Residual, const N: usize> PhaseEquilibrium<E, N>

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pub fn _repr_markdown_(&self) -> String

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impl<E> PhaseEquilibrium<E, 2>

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

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

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impl<E> PhaseEquilibrium<E, 3>

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

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

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

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impl<E: Residual> PhaseEquilibrium<E, 2>

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pub fn new_npt( eos: &Arc<E>, temperature: Temperature, pressure: Pressure, vapor_moles: &Moles<Array1<f64>>, liquid_moles: &Moles<Array1<f64>>, ) -> EosResult<Self>

Creates a new PhaseEquilibrium that contains two states at the specified temperature, pressure and moles.

The constructor can be used in custom phase equilibrium solvers or, e.g., to generate initial guesses for an actual VLE solver. In general, the two states generated are NOT in an equilibrium.

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impl<E: Residual> PhaseEquilibrium<E, 2>

§Utility functions

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

Check if the two states form a trivial solution

Trait Implementations§

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

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fn clone(&self) -> Self

Returns a duplicate 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<E: Debug, const N: usize> Debug for PhaseEquilibrium<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<E: Residual, const N: usize> Display for PhaseEquilibrium<E, N>

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

Formats the value using the given formatter. Read more

Auto Trait Implementations§

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

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

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impl<E, const N: usize> Send for PhaseEquilibrium<E, N>
where E: Sync + Send,

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impl<E, const N: usize> Sync for PhaseEquilibrium<E, N>
where E: Sync + Send,

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

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

Blanket Implementations§

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

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fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more
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impl<Src, Scheme> ApproxFrom<Src, Scheme> for Src
where Scheme: ApproxScheme,

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type Err = NoError

The error type produced by a failed conversion.
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fn approx_from(src: Src) -> Result<Src, <Src as ApproxFrom<Src, Scheme>>::Err>

Convert the given value into an approximately equivalent representation.
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impl<Dst, Src, Scheme> ApproxInto<Dst, Scheme> for Src
where Dst: ApproxFrom<Src, Scheme>, Scheme: ApproxScheme,

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type Err = <Dst as ApproxFrom<Src, Scheme>>::Err

The error type produced by a failed conversion.
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fn approx_into(self) -> Result<Dst, <Src as ApproxInto<Dst, Scheme>>::Err>

Convert the subject into an approximately equivalent representation.
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impl<T> Borrow<T> for T
where T: ?Sized,

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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,

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

Mutably borrows from an owned value. Read more
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impl<T> CloneToUninit for T
where T: Clone,

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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
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impl<T, Dst> ConvAsUtil<Dst> for T

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fn approx(self) -> Result<Dst, Self::Err>
where Self: Sized + ApproxInto<Dst>,

Approximate the subject with the default scheme.
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fn approx_by<Scheme>(self) -> Result<Dst, Self::Err>
where Self: Sized + ApproxInto<Dst, Scheme>, Scheme: ApproxScheme,

Approximate the subject with a specific scheme.
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impl<T> ConvUtil for T

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fn approx_as<Dst>(self) -> Result<Dst, Self::Err>
where Self: Sized + ApproxInto<Dst>,

Approximate the subject to a given type with the default scheme.
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fn approx_as_by<Dst, Scheme>(self) -> Result<Dst, Self::Err>
where Self: Sized + ApproxInto<Dst, Scheme>, Scheme: ApproxScheme,

Approximate the subject to a given type with a specific scheme.
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fn into_as<Dst>(self) -> Dst
where Self: Sized + Into<Dst>,

Convert the subject to a given type.
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where Self: Sized + TryInto<Dst>,

Attempt to convert the subject to a given type.
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where Self: Sized + ValueInto<Dst>,

Attempt a value conversion of the subject to a given type.
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impl<T> From<T> for T

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fn from(t: T) -> T

Returns the argument unchanged.

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

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fn into(self) -> U

Calls U::from(self).

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

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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
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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
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impl<T> Pointable for T

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const ALIGN: usize

The alignment of pointer.
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type Init = T

The type for initializers.
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unsafe fn init(init: <T as Pointable>::Init) -> usize

Initializes a with the given initializer. Read more
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unsafe fn deref<'a>(ptr: usize) -> &'a T

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unsafe fn drop(ptr: usize)

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type Output = T

Should always be Self
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where SS: SubsetOf<SP>,

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

The inverse inclusion map: attempts to construct self from the equivalent element of its superset. Read more
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fn is_in_subset(&self) -> bool

Checks if self is actually part of its subset T (and can be converted to it).
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Use with care! Same as self.to_subset but without any property checks. Always succeeds.
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fn from_subset(element: &SS) -> SP

The inclusion map: converts self to the equivalent element of its superset.
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The resulting type after obtaining ownership.
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type Err = NoError

The error type produced by a failed conversion.
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fn try_from(src: Src) -> Result<Src, <Src as TryFrom<Src>>::Err>

Convert the given value into the subject type.
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where U: Into<T>,

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type Error = Infallible

The type returned in the event of a conversion error.
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Performs the conversion.
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impl<Src, Dst> TryInto<Dst> for Src
where Dst: TryFrom<Src>,

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type Err = <Dst as TryFrom<Src>>::Err

The error type produced by a failed conversion.
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fn try_into(self) -> Result<Dst, <Src as TryInto<Dst>>::Err>

Convert the subject into the destination type.
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impl<T, U> TryInto<U> for T
where U: TryFrom<T>,

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

The type returned in the event of a conversion error.
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fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>

Performs the conversion.
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impl<Src> ValueFrom<Src> for Src

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type Err = NoError

The error type produced by a failed conversion.
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fn value_from(src: Src) -> Result<Src, <Src as ValueFrom<Src>>::Err>

Convert the given value into an exactly equivalent representation.
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impl<Src, Dst> ValueInto<Dst> for Src
where Dst: ValueFrom<Src>,

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type Err = <Dst as ValueFrom<Src>>::Err

The error type produced by a failed conversion.
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fn value_into(self) -> Result<Dst, <Src as ValueInto<Dst>>::Err>

Convert the subject into an exactly equivalent representation.