feos.gc_pcsaft

Utilities to build GcPcSaftParameters. To learn more about ways to build parameters from files or within Python, see this example.

Example

from feos.gc_pcsaft import GcPcSaftParameters

Data types

Identifier([cas, name, iupac_name, smiles, ...])	Create an identifier for a pure substance.
IdentifierOption	Possible variants to identify a substance.
ChemicalRecord(identifier, segments[, bonds])	Create a chemical record for a pure substance.
SmartsRecord(group, smarts[, max])
GcPcSaftRecord(m, sigma, epsilon_k[, mu, ...])
SegmentRecord(identifier, molarweight, ...)	All information required to characterize a single segment.
BinarySegmentRecord(id1, id2, model_record)	Create a record for a binary segment interaction parameter.
GcPcSaftEosParameters
GcPcSaftFunctionalParameters