Extension of the UNIFAC model for ionic liquids

Z Lei, C Dai, X Liu, L Xiao, B Chen - Industrial & engineering …, 2012 - ACS Publications
The UNIFAC model has recently become very popular for ionic liquids (ILs) because of its
applicability for prediction of thermodynamic properties. This work is a continuation of our …

UNIFAC model for ionic liquids

Z Lei, J Zhang, Q Li, B Chen - Industrial & Engineering Chemistry …, 2009 - ACS Publications
This work focuses on the extension of group parameters of the UNIFAC model to systems
with ionic liquids. The new group parameters for ionic liquids were obtained by means of …

UNIFAC Model for Ionic Liquids: 3. Revision and Extension

R Zhu, H Kang, Q Liu, M Song, C Gui… - Industrial & …, 2024 - ACS Publications
Predictive molecular thermodynamic models are significant for predicting basic
thermodynamic properties, such as fluid phase equilibrium in chemical separation …

UNIFAC model for ionic liquids. 2. Revision and extension

Y Dong, Y Guo, R Zhu, J Zhang… - Industrial & Engineering …, 2020 - ACS Publications
Ionic liquids (ILs) as separating agents have been extensively studied in chemical
separation processes. For IL-containing systems, the UNIFAC model for ILs (ie, UNIFAC-Lei …

Extending the UNIFAC model for ionic liquid–solute systems by combining experimental and computational databases

Z Song, T Zhou, Z Qi, K Sundmacher - AIChE Journal, 2020 - Wiley Online Library
Considering that the predictive UNIFAC model is highly valuable for the solvent selection,
process design and optimization of separation tasks, a large extension of this model to ionic …

Application of COSMO-RS and UNIFAC for ionic liquids based gas separation

X Liu, T Zhou, X Zhang, S Zhang, X Liang… - Chemical Engineering …, 2018 - Elsevier
In recent years, due to their advantages on good stability, non-volatility, tunable viscosity
and tailor-made properties, ionic liquids (ILs) have been regarded as novel potential …

Correlation of infinite dilution activity coefficient of solute in ionic liquid using UNIFAC model

J Wang, W Sun, C Li, Z Wang - Fluid Phase Equilibria, 2008 - Elsevier
Infinite dilution activity coefficient is an important thermodynamic property, which is widely
used in evaluating the intermolecular interaction and screening potential solvents for the …

UNIFAC model for ionic liquid‐CO2 systems

Z Lei, C Dai, W Wang, B Chen - AIChE Journal, 2014 - Wiley Online Library
The new group binary interaction parameters of UNIFAC model (anm and amn) between
CO2 and 22 ionic liquid (IL) groups were obtained by means of correlating the solubility data …

Prediction of phase equilibria and excess properties for systems with ionic liquids using modified UNIFAC: typical results and present status of the modified UNIFAC …

S Nebig, J Gmehling - Fluid phase equilibria, 2011 - Elsevier
Vapor–liquid equilibria at 363.15 K, and excess enthalpies in the temperature range 363.15–
413.15 K of binary systems containing the ionic liquids 1-butyl-1-methylpyrrolidinium bis …

Prediction of phase equilibrium in mixtures containing ionic liquids using UNIFAC

EI Alevizou, GD Pappa, EC Voutsas - Fluid Phase Equilibria, 2009 - Elsevier
The UNIFAC model is extended to mixtures of ionic liquids consisting of the imidazolium
cation and the hexafluorophosphate anion with alkanes, cycloalkanes, alcohols and water …