Struct StateAD

pub struct StateAD<'a, E: ParametersAD, D: DualNum<f64> + Copy, const N: usize> {
    pub eos: &'a HelmholtzEnergyWrapper<E, D, N>,
    pub temperature: Temperature<D>,
    pub molar_volume: MolarVolume<D>,
    pub molefracs: SVector<D, N>,
    pub reduced_temperature: D,
    pub reduced_molar_volume: D,
}

An (intensive) thermodynamic state representing a single phase.

Fields

eos: &'a HelmholtzEnergyWrapper<E, D, N>

temperature: Temperature<D>

molar_volume: MolarVolume<D>

molefracs: SVector<D, N>

reduced_temperature: D

reduced_molar_volume: D

Implementations

impl<'a, R: ResidualHelmholtzEnergy<N>, D: DualNum<f64> + Copy, const N: usize> StateAD<'a, R, D, N>

pub fn tp_flash( &self, ) -> EosResult<(PhaseEquilibriumAD<'a, R, D, N>, Dimensionless<D>)>

Perform a Tp-flash calculation. Returns the PhaseEquilibriumAD and the vapor fraction.

impl<'a, E: ParametersAD, D: DualNum<f64> + Copy, const N: usize> StateAD<'a, E, D, N>

pub fn new( eos: &'a HelmholtzEnergyWrapper<E, D, N>, temperature: D, molar_volume: D, molefracs: SVector<D, N>, ) -> Self

Crate a state from its thermodynamic variables (temperature, molar volume, composition)

impl<'a, E: ResidualHelmholtzEnergy<N>, D: DualNum<f64> + Copy, const N: usize> StateAD<'a, E, D, N>

pub fn new_tp( eos: &'a HelmholtzEnergyWrapper<E, D, N>, temperature: Temperature<D>, pressure: Pressure<D>, molefracs: SVector<D, N>, density_initialization: DensityInitialization, ) -> EosResult<Self>

Calculate a state from given temperature, pressure and composition.

pub fn pressure(&self) -> Pressure<D>

impl<'a, E: TotalHelmholtzEnergy<N>, D: DualNum<f64> + Copy, const N: usize> StateAD<'a, E, D, N>

pub fn new_ps( eos: &'a HelmholtzEnergyWrapper<E, D, N>, pressure: Pressure<D>, molar_entropy: MolarEntropy<D>, molefracs: SVector<D, N>, density_initialization: DensityInitialization, initial_temperature: Option<Temperature>, ) -> EosResult<Self>

Calculate a state from given pressure, molar entropy and composition.

pub fn new_ph( eos: &'a HelmholtzEnergyWrapper<E, D, N>, pressure: Pressure<D>, molar_enthalpy: MolarEnergy<D>, molefracs: SVector<D, N>, density_initialization: DensityInitialization, initial_temperature: Option<Temperature>, ) -> EosResult<Self>

Calculate a state from given pressure, molar enthalpy and composition.

pub fn molar_entropy(&self) -> MolarEntropy<D>

pub fn molar_enthalpy(&self) -> MolarEnergy<D>

pub fn molar_isochoric_heat_capacity(&self) -> MolarEntropy<D>

pub fn molar_isobaric_heat_capacity(&self) -> MolarEntropy<D>

impl<'a, E: ResidualHelmholtzEnergy<1>, D: DualNum<f64> + Copy> StateAD<'a, E, D, 1>

pub fn critical_point_pure( eos: &'a HelmholtzEnergyWrapper<E, D, 1>, ) -> EosResult<Self>

Calculate the critical point of a pure component.

impl<'a, E: ResidualHelmholtzEnergy<N>, D: DualNum<f64> + Copy, const N: usize> StateAD<'a, E, D, N>

pub fn critical_point( eos: &'a HelmholtzEnergyWrapper<E, D, N>, molefracs: SVector<D, N>, ) -> EosResult<Self>

where Const<N>: Eigen<N>,

Calculate the critical point of a mixture with given composition.