feos.joback

Ideal gas model based on the Joback & Reid GC method.

Example: Combine the ideal gas model of Joback & Reid with PC-SAFT

from feos.eos import EquationOfState, State
from feos.pcsaft import PcSaftParameters
from feos.joback import Joback

pc_saft_parameters = PcSaftParameters.from_json_smiles(
    ['CCC', 'CCCC'],
    'smarts.json',
    'pcsaft_group_parameters.json'
)
joback = Joback.from_json_smiles(
    ['CCC', 'CCCC'],
    'smarts.json',
    'joback_parameters.json'
)
eos = EquationOfState.pcsaft(pc_saft_parameters).joback(joback)

Data types

Identifier

Create an identifier for a pure substance.

IdentifierOption

Possible variants to identify a substance.

JobackRecord

Create a set of Joback ideal gas heat capacity parameters for a segment or a pure component.

PureRecord

All information required to characterize a pure component.

SegmentRecord

All information required to characterize a single segment.

Joback

Ideal gas model based on the Joback & Reid GC method.