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 …

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 …

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 …

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 …

Liquid–liquid equilibrium in ternary ionic liquid systems by UNIFAC: New volume, surface area and interaction parameters. Part I

RS Santiago, GR Santos, M Aznar - Fluid Phase Equilibria, 2010 - Elsevier
Ternary liquid–liquid equilibria (LLE) data in systems involving ionic liquids has been
investigated by several years, mainly due to the innovative role of ionic liquids as extraction …

Present status of the modified UNIFAC model for the prediction of phase equilibria and excess enthalpies for systems with ionic liquids

T Hector, J Gmehling - Fluid Phase Equilibria, 2014 - Elsevier
The modified UNIFAC (Dortmund) parameter matrix for ionic liquids has been extended.
Two new main groups for the anions alkylsulfate [RSO 4]− and hexafluorophosphate [PF 6] …

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 …

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 …

Gas solubility in ionic liquids: UNIFAC-IL model extension

Y Chen, X Liu, JM Woodley… - Industrial & Engineering …, 2020 - ACS Publications
Prediction of thermodynamic behavior is essential for the early design stage of separation
processes including solvent selection, process optimization, and its performance evaluation …

COSMO‐UNIFAC model for ionic liquids

Y Dong, S Huang, Y Guo, Z Lei - AIChE Journal, 2020 - Wiley Online Library
The united chemical thermodynamic model, that is, COSMO‐UNIFAC model was first
extended to the systems containing ionic liquids (ILs). This model for ILs combines the …