Struct feos_core::PhaseDiagram

pub struct PhaseDiagram<U, E> {
    pub states: Vec<PhaseEquilibrium<U, E, 2>>,
}

Pure component and binary mixture phase diagrams.

Fields

states: Vec<PhaseEquilibrium<U, E, 2>>

Implementations

impl<U: EosUnit, E: EquationOfState> PhaseDiagram<U, E>

pub fn binary_vle(
    eos: &Rc<E>,
    temperature_or_pressure: QuantityScalar<U>,
    npoints: Option<usize>,
    x_lle: Option<(f64, f64)>,
    bubble_dew_options: (SolverOptions, SolverOptions)
) -> EosResult<Self> where
    QuantityScalar<U>: Display + LowerExp, 

Create a new binary phase diagram exhibiting a vapor/liquid equilibrium.

If a heteroazeotrope occurs and the composition of the liquid phases are known, they can be passed as x_lle to avoid the calculation of unstable branches.

pub fn lle(
    eos: &Rc<E>,
    temperature_or_pressure: QuantityScalar<U>,
    feed: &QuantityArray1<U>,
    min_tp: QuantityScalar<U>,
    max_tp: QuantityScalar<U>,
    npoints: Option<usize>
) -> EosResult<Self> where
    QuantityScalar<U>: Display + LowerExp, 

Create a new phase diagram using Tp flash calculations.

The usual use case for this function is the calculation of liquid-liquid phase diagrams, but it can be used for vapor- liquid diagrams as well, as long as the feed composition is in a two phase region.

impl<U: EosUnit, E: EquationOfState> PhaseDiagram<U, E>

pub fn binary_vlle(
    eos: &Rc<E>,
    temperature_or_pressure: QuantityScalar<U>,
    x_lle: (f64, f64),
    tp_lim_lle: Option<QuantityScalar<U>>,
    npoints_vle: Option<usize>,
    npoints_lle: Option<usize>,
    bubble_dew_options: (SolverOptions, SolverOptions)
) -> EosResult<PhaseDiagramHetero<U, E>> where
    QuantityScalar<U>: Display + LowerExp, 

Create a new binary phase diagram exhibiting a vapor/liquid/liquid equilibrium.

The x_lle parameter is used as initial values for the calculation of the heteroazeotrope.

impl<U: EosUnit, E: EquationOfState> PhaseDiagram<U, E>

pub fn pure(
    eos: &Rc<E>,
    min_temperature: QuantityScalar<U>,
    npoints: usize,
    critical_temperature: Option<QuantityScalar<U>>,
    options: SolverOptions
) -> EosResult<Self> where
    QuantityScalar<U>: Display + LowerExp, 

Calculate a phase diagram for a pure component.

pub fn vapor(&self) -> StateVec<'_, U, E>

Return the vapor states of the diagram.

pub fn liquid(&self) -> StateVec<'_, U, E>

Return the liquid states of the diagram.

Trait Implementations

impl<U: Clone, E> Clone for PhaseDiagram<U, E>

fn clone(&self) -> Self

Returns a copy of the value.

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

Performs copy-assignment from source.