feos.epcsaft

Utilities to build ElectrolytePcSaftParameters.

Example

from feos.epcsaft import ElectrolytePcSaftParameters

pure_path = 'parameters/epcsaft/held2014_w_permittivity_added.json'
binary_path = 'parameters/epcsaft/held2014_binary.json'
parameters = ElectrolytePcSaftParameters.from_json(['water', 'sodium ion', 'chloride ion'], pure_path, binary_path)

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])
ElectrolytePcSaftVariants	Implemented variants of the ePC-SAFT equation of state.
ElectrolytePcSaftRecord(m, sigma, epsilon_k)
ElectrolytePcSaftBinaryRecord(k_ij)
PureRecord(identifier, molarweight, model_record)	All information required to characterize a pure component.
SegmentRecord(identifier, molarweight, ...)	All information required to characterize a single segment.
BinaryRecord(id1, id2, model_record)	Create a record for a binary interaction parameter.
BinarySegmentRecord(id1, id2, model_record)	Create a record for a binary segment interaction parameter.
ElectrolytePcSaftParameters
PermittivityRecord	Class permittivity record