feos.pcsaft

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

Example

from feos.pcsaft import PcSaftParameters

parameters = PcSaftParameters.from_json(['methane', 'ethane'], 'parameters.json')

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

DQVariants

Different combination rules used in the dipole-quadrupole contribution.

PcSaftRecord

Pure-substance parameters for the PC-Saft equation of state.

PcSaftBinaryRecord

Create a record for a binary interaction parameter.

PureRecord

All information required to characterize a pure component.

SegmentRecord

All information required to characterize a single segment.

BinaryRecord

Create a record for a binary interaction parameter.

BinarySegmentRecord

Create a record for a binary segment interaction parameter.

PcSaftParameters