Comparative Assessment of Group Contribution Models for Estimating the Isobaric Heat Capacity of Ionic Liquids
Related Experiment Video
Updated: Oct 31, 2026

Synthesis of Ionic Liquid Based Electrolytes, Assembly of Li-ion Batteries, and Measurements of Performance at High Temperature
Published on: December 20, 2016
Peterson Y G de Medeiros Araújo1, Nathan S Evangelista2, Frederico R do Carmo3
1Grupo de Pesquisa em Termofluidodinâmica Aplicada, Departamento de Engenharia Química, Universidade Federal do Ceará, Campus do Pici, Bloco 709, Fortaleza, State of Ceará 60455-760, Brazil.
Abstract:
Eight widely used group-contribution models were evaluated for their ability to estimate the isobaric heat capacity (C p) of ionic liquids (ILs). A curated database containing 9037 experimental data points for 142 ILs, covering eight cation families, temperatures from 190 to 524.87 K, and heat capacities from 93.0 to 1805.7 J·mol-1·K-1, was assembled to assess model performance under diverse conditions. Three main evaluation criteria were applied: predictive accuracy, functional-group flexibility, and ability to represent structural diversity of cation-anion combinations. Among the evaluated models, "GAR", "SOR", and "MIA" exhibited the best predictive accuracy, with overall % AARD values of 5.10%, 4.30%, and 4.22%, respectively. The "MIA" model is particularly suitable for imidazolium- and pyridinium-based ILs, relevant in industrial contexts. The "SAT" model also proved promising for CAMD applications due to its flexible atomic-contribution framework. Overall, the study offers practical guidance for selecting group-contribution methods when experimental data are unavailable.
More Related Videos
08:54Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on: January 25, 2020
10:04Collecting Variable-concentration Isothermal Titration Calorimetry Datasets in Order to Determine Binding Mechanisms
Published on: April 7, 2011
Related Concept Videos
Heat Capacities of an Ideal Gas III
Heat Capacities of an Ideal Gas II
Heat Capacities of an Ideal Gas I
Molar heat capacity quantifies the ratio of the amount of heat added (or removed) to increase (or decrease) the temperature of...
Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
Heat Capacity: Problem-Solving
Determine the type of gas: The heat capacity of a gas depends on its molecular structure and the degree of freedom of its molecules. Different types of...
Molecular Comparison of Gases, Liquids, and Solids