Module parameter 

Structures and traits that can be used to build model parameters for equations of state.

Structs

AssociationParameters

Parameter set required for the SAFT association Helmoltz energy contribution and functional.

AssociationRecord

Pure component association parameters.

AssociationSite

The definition of an individual association site.

BinaryAssociationRecord

Binary association parameters.

BinaryParameters

Parameters for one specific binary interaction.

BinaryRecord

A collection of parameters that model interactions between two substances.

ChemicalRecord

Chemical information of a substance.

GenericParameters

The most general representation of model parameters.

Identifier

A collection of identifiers for a chemical structure or substance.

PureParameters

Parameters for one specific pure component or segment/group.

Record

A collection of parameters with an arbitrary identifier.

Enums

IdentifierOption

Possible variants to identify a substance.

Traits

CombiningRule

The combining rule for association parameters that is used as fallback if no binary association parameters are available.

FromSegments

Trait for models that implement a homosegmented group contribution method

FromSegmentsBinary

Trait for models that implement a homosegmented group contribution method and have a combining rule for binary interaction parameters.

GroupCount

The type that is used to account for the multiplicity of groups.

Type Aliases

BinarySegmentRecord

A collection of parameters that model interactions between two segments.

GcParameters

Representation of group-specific parameters.

IdealGasParameters

Representation of parameters for ideal gas models (no association, no binary interactions).

Parameters

Representation of component-specific parameters (no bonds, no counts).

PureRecord

A collection of parameters of a pure substance.

SegmentRecord

Parameters describing an individual segment of a molecule.