Struct EquationOfState

pub struct EquationOfState<I, R> {
    pub ideal_gas: Arc<I>,
    pub residual: Arc<R>,
}

An equation of state consisting of an ideal gas model and a residual Helmholtz energy model.

Fields

ideal_gas: Arc<I>

residual: Arc<R>

Implementations

impl<I, R> EquationOfState<I, R>

pub fn new(ideal_gas: Arc<I>, residual: Arc<R>) -> Self

Return a new EquationOfState with the given ideal gas and residual models.

impl<I: IdealGas> EquationOfState<I, NoResidual>

pub fn ideal_gas(ideal_gas: Arc<I>) -> Self

Return a new EquationOfState that only consists of an ideal gas models.

Trait Implementations

impl<I: Clone, R: Clone> Clone for EquationOfState<I, R>

fn clone(&self) -> EquationOfState<I, R>

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl<I: Components, R: Components> Components for EquationOfState<I, R>

fn components(&self) -> usize

Return the number of components of the model.

fn subset(&self, component_list: &[usize]) -> Self

Return a model consisting of the components contained in component_list.

impl<I: IdealGas, R: Residual + EntropyScaling> EntropyScaling for EquationOfState<I, R>

fn viscosity_reference( &self, temperature: Temperature, volume: Volume, moles: &Moles<Array1<f64>>, ) -> EosResult<Viscosity>

fn viscosity_correlation(&self, s_res: f64, x: &Array1<f64>) -> EosResult<f64>

fn diffusion_reference( &self, temperature: Temperature, volume: Volume, moles: &Moles<Array1<f64>>, ) -> EosResult<Diffusivity>

fn diffusion_correlation(&self, s_res: f64, x: &Array1<f64>) -> EosResult<f64>

fn thermal_conductivity_reference( &self, temperature: Temperature, volume: Volume, moles: &Moles<Array1<f64>>, ) -> EosResult<ThermalConductivity>

fn thermal_conductivity_correlation( &self, s_res: f64, x: &Array1<f64>, ) -> EosResult<f64>

impl<I: IdealGas, R: Components + Sync + Send> IdealGas for EquationOfState<I, R>

fn ln_lambda3<D: DualNum<f64> + Copy>(&self, temperature: D) -> Array1<D>

Implementation of an ideal gas model in terms of the logarithm of the cubic thermal de Broglie wavelength in units ln(A³) for each component in the system.

fn ideal_gas_model(&self) -> String

Short description (usually the name) of the model.

fn ideal_gas_helmholtz_energy<D: DualNum<f64> + Copy>( &self, state: &StateHD<D>, ) -> D

Evaluate the ideal gas Helmholtz energy contribution for a given state.

impl<I, R: Molarweight> Molarweight for EquationOfState<I, R>

fn molar_weight(&self) -> MolarWeight<Array1<f64>>

impl<I: IdealGas, R: Residual> Residual for EquationOfState<I, R>

fn compute_max_density(&self, moles: &Array1<f64>) -> f64

Return the maximum density in Angstrom^-3.

fn residual_helmholtz_energy_contributions<D: DualNum<f64> + Copy + ScalarOperand>( &self, state: &StateHD<D>, ) -> Vec<(String, D)>

Evaluate the reduced Helmholtz energy of each individual contribution and return them together with a string representation of the contribution.

fn residual_helmholtz_energy<D: DualNum<f64> + Copy + ScalarOperand>( &self, state: &StateHD<D>, ) -> D

Evaluate the residual reduced Helmholtz energy $\beta A^\mathrm{res}$.

fn validate_moles( &self, moles: Option<&Moles<Array1<f64>>>, ) -> EosResult<Moles<Array1<f64>>>

Check if the provided optional mole number is consistent with the equation of state.

fn max_density(&self, moles: Option<&Moles<Array1<f64>>>) -> EosResult<Density>

Calculate the maximum density.

fn second_virial_coefficient( &self, temperature: Temperature, moles: Option<&Moles<Array1<f64>>>, ) -> EosResult<Quot<f64, Density>>

Calculate the second virial coefficient $B(T)$

fn third_virial_coefficient( &self, temperature: Temperature, moles: Option<&Moles<Array1<f64>>>, ) -> EosResult<<<f64 as Div<Density>>::Output as Div<Density>>::Output>

Calculate the third virial coefficient $C(T)$

fn second_virial_coefficient_temperature_derivative( &self, temperature: Temperature, moles: Option<&Moles<Array1<f64>>>, ) -> EosResult<<<f64 as Div<Density>>::Output as Div<Temperature>>::Output>

Calculate the temperature derivative of the second virial coefficient $B’(T)$

fn third_virial_coefficient_temperature_derivative( &self, temperature: Temperature, moles: Option<&Moles<Array1<f64>>>, ) -> EosResult<<<<f64 as Div<Density>>::Output as Div<Density>>::Output as Div<Temperature>>::Output>

Calculate the temperature derivative of the third virial coefficient $C’(T)$