Enum: ActivityCoefficientModel

Excess Gibbs energy / activity-coefficient models for non-ideal liquid phases (the SFF gamma method).

Permissible Values

Value	Description	Abbreviation	Aliases
IDEAL	Ideal solution, all activity coefficients equal to one (Raoult's law)
MARGULES	Margules two-parameter activity-coefficient model
VAN_LAAR	Van Laar activity-coefficient model
REGULAR_SOLUTION	Scatchard-Hildebrand regular solution model based on solubility parameters
WILSON	Wilson local-composition activity-coefficient model
NRTL	Non-random two-liquid local-composition activity-coefficient model
ELECTROLYTE_NRTL	Electrolyte NRTL model for systems containing ions	eNRTL
UNIQUAC	Universal quasi-chemical activity-coefficient model
UNIFAC	UNIQUAC functional-group activity-coefficient (group-contribution) model
UNIFAC_DORTMUND	Modified UNIFAC (Dortmund) group-contribution model
FLORY_HUGGINS	Flory-Huggins model for polymer solutions
PITZER	Pitzer model for aqueous electrolyte activity coefficients
COSMO_SAC	COSMO-based segment activity-coefficient model from quantum chemistry		COSMO-RS, COSMO-SAC

Slots

Name	Description
activity_coefficient_model	The activity-coefficient (excess Gibbs energy) model used for the liquid phas...

Identifier and Mapping Information

Schema Source

from schema: https://w3id.org/valuesets

LinkML Source

name: ActivityCoefficientModel
instantiates:
- valuesets_meta:ValueSetEnumDefinition
description: Excess Gibbs energy / activity-coefficient models for non-ideal liquid
  phases (the SFF gamma method).
title: Activity Coefficient Model
from_schema: https://w3id.org/valuesets
contributors:
- orcid:0000-0002-6601-2165
- https://github.com/anthropics/claude-code
status: DRAFT
rank: 1000
permissible_values:
  IDEAL:
    text: IDEAL
    description: Ideal solution, all activity coefficients equal to one (Raoult's
      law)
  MARGULES:
    text: MARGULES
    description: Margules two-parameter activity-coefficient model
  VAN_LAAR:
    text: VAN_LAAR
    description: Van Laar activity-coefficient model
  REGULAR_SOLUTION:
    text: REGULAR_SOLUTION
    description: Scatchard-Hildebrand regular solution model based on solubility parameters
  WILSON:
    text: WILSON
    description: Wilson local-composition activity-coefficient model
  NRTL:
    text: NRTL
    description: Non-random two-liquid local-composition activity-coefficient model
  ELECTROLYTE_NRTL:
    text: ELECTROLYTE_NRTL
    description: Electrolyte NRTL model for systems containing ions
    annotations:
      abbreviation:
        tag: abbreviation
        value: eNRTL
  UNIQUAC:
    text: UNIQUAC
    description: Universal quasi-chemical activity-coefficient model
  UNIFAC:
    text: UNIFAC
    description: UNIQUAC functional-group activity-coefficient (group-contribution)
      model
  UNIFAC_DORTMUND:
    text: UNIFAC_DORTMUND
    description: Modified UNIFAC (Dortmund) group-contribution model
  FLORY_HUGGINS:
    text: FLORY_HUGGINS
    description: Flory-Huggins model for polymer solutions
  PITZER:
    text: PITZER
    description: Pitzer model for aqueous electrolyte activity coefficients
  COSMO_SAC:
    text: COSMO_SAC
    description: COSMO-based segment activity-coefficient model from quantum chemistry
    annotations:
      aliases:
        tag: aliases
        value: COSMO-RS, COSMO-SAC