Computer-aided molecular design of ionic liquids as advanced process media: a review from fundamentals to applications

Z Song, J Chen, J Cheng, G Chen, Z Qi - Chemical Reviews, 2023 - ACS Publications
The unique physicochemical properties, flexible structural tunability, and giant chemical
space of ionic liquids (ILs) provide them a great opportunity to match different target …

A review of group contribution models to calculate thermodynamic properties of ionic liquids for process systems engineering

V Villazón-León, A Bonilla-Petriciolet… - … Research and Design, 2022 - Elsevier
Ionic liquids are compounds with interesting physical and chemical properties that can be
applied to a wide variety of processes. The knowledge of their thermodynamic properties is …

Viscosity prediction of ionic liquids using NLR and SVM approaches

AD Boualem, K Argoub, AM Benkouider… - Journal of Molecular …, 2022 - Elsevier
Using the molecular functional group, two alternative models for predicting the dynamic
viscosity of ionic liquids (ILs) as function of temperature are presented. The group …

ANFIS modeling for prediction of CO2 solubility in potassium and sodium based amino acid Salt solutions

E Soroush, M Mesbah, N Hajilary… - Journal of Environmental …, 2019 - Elsevier
Amino acids are considered as a new class of solvents, which can be used in CO 2 capture
processes. Designing such processes requires simple and precise models for predicting …

Extensive databases and group contribution QSPRs of ionic liquid properties. 3: surface tension

K Paduszynski - Industrial & Engineering Chemistry Research, 2021 - ACS Publications
Quantitative structure–property relationships (QSPR) for calculating temperature
dependence of surface tension (σ) of ionic liquids (ILs) in terms of group contributions (GCs) …

QSPR models for the properties of ionic liquids at variable temperatures based on norm descriptors

F Yan, Y Shi, Y Wang, Q Jia, Q Wang, S Xia - Chemical Engineering …, 2020 - Elsevier
Surface tension and heat capacity are fundamental and crucial properties for ionic liquids
(ILs). Most often, separate descriptors based on the cations and anions are used to develop …

Ionic liquid-mediated functionalization of graphene-based materials for versatile applications: a review

C Verma, EE Ebenso - Graphene Technology, 2019 - Springer
Industrial applications of the graphene (G) and graphene oxide (GO) can be further explored
by making them more dispersible in the aqueous and organic environments. Several …

Prediction of surface tension of the binary mixtures containing ionic liquid using heuristic approaches; an input parameters investigation

A Shojaeian, M Asadizadeh - Journal of Molecular Liquids, 2020 - Elsevier
In this study, the effect of input parameters on the performance of the artificial neural network
(ANN) has been investigated to predict the surface tension of the 33 non-ionic+ ionic liquids …

Surface tension of mixtures containing ionic liquids based on an equation of state and on the geometric similitude concept

LF Cardona, JO Valderrama - Ionics, 2020 - Springer
A model based on a cubic equation of state and on the geometric similitude concept is
proposed to calculate the surface tension of pure substances and mixtures containing …

Prediction bubble point pressure for CO2/CH4 gas mixtures in ionic liquids using intelligent approaches

AH Monjezi, M Mesbah, M Rezakazemi, M Younas - Emergent Materials, 2021 - Springer
In this study, the bubble point pressure of carbon dioxide (CO 2) absorption in ionic liquids
(ILs) process in the presence of methane (CH 4) was predicted using an artificial neural …