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

Create an identifier for a pure substance.

IdentifierOption

Possible variants to identify a substance.

ChemicalRecord

Create a chemical record for a pure substance.

SmartsRecord

GcPcSaftRecord

SegmentRecord

All information required to characterize a single segment.

BinarySegmentRecord

Create a record for a binary segment interaction parameter.

GcPcSaftEosParameters

GcPcSaftFunctionalParameters