feos.pets

Example

Data types

Identifier([cas, name, iupac_name, smiles, ...])

Create an identifier for a pure substance.

IdentifierOption

Possible variants to identify a substance.

PureRecord(identifier, molarweight, model_record)

All information required to characterize a pure component.

BinaryRecord(id1, id2, model_record)

Create a record for a binary interaction parameter.

PetsBinaryRecord

Create a record for a binary interaction parameter, i.e. k_ij.

PetsRecord(sigma, epsilon_k[, viscosity, ...])

Create a set of PeTS parameters from records.

PetsParameters