Struct PengRobinsonParameters

pub struct PengRobinsonParameters { /* private fields */ }

Peng-Robinson parameters for one ore more substances.

Implementations

impl PengRobinsonParameters

pub fn new_simple( tc: &[f64], pc: &[f64], acentric_factor: &[f64], molarweight: &[f64], ) -> Result<Self, ParameterError>

Build a simple parameter set without binary interaction parameters.

Trait Implementations

impl Display for PengRobinsonParameters

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

Formats the value using the given formatter.

impl Parameter for PengRobinsonParameters

fn from_records( pure_records: Vec<PureRecord<Self::Pure>>, binary_records: Option<Array2<Self::Binary>>, ) -> Result<Self, ParameterError>

Creates parameters from pure component records.

type Pure = PengRobinsonRecord

type Binary = f64

fn records(&self) -> (&[PureRecord<PengRobinsonRecord>], Option<&Array2<f64>>)

Return the original pure and binary records that were used to construct the parameters.

fn new_pure(pure_record: PureRecord<Self::Pure>) -> Result<Self, ParameterError>

Creates parameters for a pure component from a pure record.

fn new_binary( pure_records: Vec<PureRecord<Self::Pure>>, binary_record: Option<Self::Binary>, ) -> Result<Self, ParameterError>

Creates parameters for a binary system from pure records and an optional binary interaction parameter.

fn from_model_records( model_records: Vec<Self::Pure>, ) -> Result<Self, ParameterError>

Creates parameters from model records with default values for the molar weight, identifiers, and binary interaction parameters.

fn binary_matrix_from_records( pure_records: &[PureRecord<Self::Pure>], binary_records: &[BinaryRecord<Identifier, Self::Binary>], identifier_option: IdentifierOption, ) -> Option<Array2<Self::Binary>>

Helper function to build matrix from list of records in correct order.

fn from_json<P>( substances: Vec<&str>, file_pure: P, file_binary: Option<P>, identifier_option: IdentifierOption, ) -> Result<Self, ParameterError>

where P: AsRef<Path>,

Creates parameters from substance information stored in json files.

fn from_multiple_json<P>( input: &[(Vec<&str>, P)], file_binary: Option<P>, identifier_option: IdentifierOption, ) -> Result<Self, ParameterError>

where P: AsRef<Path>,

Creates parameters from substance information stored in multiple json files.

fn from_segments<C: SegmentCount>( chemical_records: Vec<C>, segment_records: Vec<SegmentRecord<Self::Pure>>, binary_segment_records: Option<Vec<BinaryRecord<String, f64>>>, ) -> Result<Self, ParameterError>

where Self::Pure: FromSegments<C::Count>, Self::Binary: FromSegmentsBinary<C::Count>,

Creates parameters from the molecular structure and segment information.

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

Return a parameter set containing the subset of components specified in component_list.