Multicomponent ionic liquid CMC prediction

IE Kłosowska-Chomiczewska, W Artichowicz… - Physical Chemistry …, 2017 - pubs.rsc.org
We created a model to predict CMC of ILs based on 704 experimental values published in
43 publications since 2000. Our model was able to predict CMC of variety of ILs in binary or …

Beware of proper validation of models for ionic Liquids!

DM Makarov, YA Fadeeva, LE Shmukler… - Journal of Molecular …, 2021 - Elsevier
The melting point (MP) of an ionic liquid (IL) is one of the key physical properties as it
determines the lower limit of the IL working temperature range. In this work, we analysed the …

Comprehensive models for density prediction of ionic liquid+ molecular solvent mixtures at different temperatures

A Jouyban, SN Mirheydari… - … and Chemistry of …, 2020 - Taylor & Francis
To present comprehensive models for density prediction of the binary mixtures of ionic
liquids (ILs), the density data for 193 sets of ionic liquid+ molecular solvents were collected …

Prediction of CO2 and N2 solubility in ionic liquids using a combination of ionic fragments contribution and machine learning methods

Y Tian, X Wang, Y Liu, W Hu - Journal of Molecular Liquids, 2023 - Elsevier
Ionic liquids (ILs) with many unique features can act as green solvents to dissolve some
gases. In this study, two databases are collected to predict the CO 2 and N 2 solubility in …

A GEP based model for prediction of densities of ionic liquids

A Najafi-Marghmaleki, A Tatar, A Barati-Harooni… - Journal of Molecular …, 2017 - Elsevier
One of the most important properties of ionic liquids (ILs) is their densities. Accurate
knowledge of this property is required in engineering and scientific purposes including …

ILPC: simple chemometric tool supporting the design of ionic liquids

M Barycki, A Sosnowska, M Piotrowska… - Journal of …, 2016 - Springer
Abstract Background Ionic liquids (ILs) found a variety of applications in today's chemistry.
Since their properties depend on the ions constituting particular ionic liquid, it is possible to …

Application of Artificial Intelligence-based predictive methods in Ionic liquid studies: A review

F Yusuf, T Olayiwola, C Afagwu - Fluid Phase Equilibria, 2021 - Elsevier
Comprehensive experimental investigation and accurate predictive models are required to
understand the dynamics in Ionic liquid (IL) properties. Examples of these predictive models …

In silico calculation of infinite dilution activity coefficients of molecular solutes in ionic liquids: critical review of current methods and new models based on three …

K Paduszynski - Journal of chemical information and modeling, 2016 - ACS Publications
The aim of the paper is to address all the disadvantages of currently available models for
calculating infinite dilution activity coefficients (γ∞) of molecular solutes in ionic liquids …

Predictive modeling of physicochemical properties and ionicity of ionic liquids for virtual screening of novel electrolytes

DM Makarov, YA Fadeeva, LE Shmukler - Journal of Molecular Liquids, 2023 - Elsevier
In this paper, we present three regression models developed for predicting electrical
conductivity, viscosity, and density of ionic liquids. Combining these machine learning …

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 …