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 …

Modeling the activity coefficient at infinite dilution of water in ionic liquids using artificial neural networks and support vector machines

H Benimam, C Si-Moussa, M Laidi, S Hanini - Neural Computing and …, 2020 - Springer
The activity coefficient at infinite dilution of water in ionic liquids is a thermodynamic property
of a paramount importance in separation processes. However, accurate modeling of this …

Evaluation of the conductor-like screening model for real solvents for the prediction of the water activity coefficient at infinite dilution in ionic liquids

KA Kurnia, SP Pinho, JAP Coutinho - Industrial & Engineering …, 2014 - ACS Publications
Ionic liquids (ILs) have attracted great attention, from both industry and academia, as
alternative fluids for very different types of applications. The large number of cations and …

Prediction of activity coefficients at infinite dilution for organic solutes in ionic liquids by artificial neural network

F Nami, F Deyhimi - The Journal of Chemical Thermodynamics, 2011 - Elsevier
To our knowledge, this work illustrates for the first time the ability of artificial neural network
(ANN) to predict activity coefficients at infinite dilution for organic solutes in ionic liquids (ILs) …

Application of Pitzer and six local composition models to correlate the mean ionic activity coefficients of aqueous 1-butyl-3-methylimidazolium bromide ionic liquid …

H Ashassi-Sorkhabi, A Kazempour - The Journal of Chemical …, 2017 - Elsevier
The mean ionic activity coefficients of aqueous 1-butyl-3-methylimidazolium bromide
([BMIm] Br) solutions in the concentrations ranging from 0.008 to 0.215 mol· kg− 1 were …

Determination of Infinite Dilution Activity Coefficients of Molecular Solutes in Ionic Liquids and Deep Eutectic Solvents by Factorization-Machine-Based Neural …

J Li, JL Anderson, EA Smith - ACS Sustainable Chemistry & …, 2022 - ACS Publications
Widely known as “green solvents,” ionic liquids (ILs) and deep eutectic solvents (DESs)
have been used as substitutes for traditional organic solvents in separation science. To …

Dragonfly-support vector machine for regression modeling of the activity coefficient at infinite dilution of solutes in imidazolium ionic liquids using σ-profile descriptors

H Benimam, CS Moussa, M Hentabli… - Journal of Chemical & …, 2020 - ACS Publications
Ionic liquids (ILs) have shown remarkable potential for applications in separation, such as
extractive distillation and liquid–liquid extraction. Crucial to these applications is 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 …

Experimental and theoretical study on infinite dilution activity coefficients of various solutes in piperidinium ionic liquids

K Paduszyński, U Domańska - The Journal of Chemical Thermodynamics, 2013 - Elsevier
The aim of this work is to summarize our systematic studies on activity coefficients at infinite
dilution (γ12∞) of various organic compounds and water in 1-n-alkyl-1-methylpiperidinium …

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 …