Struct PengRobinson

pub struct PengRobinson { /* private fields */ }

A simple version of the Peng-Robinson equation of state.

Implementations

impl PengRobinson

pub fn new(parameters: Arc<PengRobinsonParameters>) -> Self

Create a new equation of state from a set of parameters.

Trait Implementations

impl Components for PengRobinson

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 Display for PengRobinson

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

Formats the value using the given formatter.

impl Molarweight for PengRobinson

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

impl Residual for PengRobinson

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

Return the maximum density in Angstrom^-3.

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

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

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 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 $C’(T)$