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 …

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) …

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 …

Deep learning model based on Bayesian optimization for predicting the infinite dilution activity coefficients of ionic liquid-solute systems

D Fan, W Zhu, Y Chen, K Xue, T Liu, P Cui, J Qi… - … Applications of Artificial …, 2023 - Elsevier
The infinite dilution activity coefficient (γ∞) is a crucial thermodynamic property that provides
a measure of the affinity between the solute and the solvent. In this work, three deep …

Machine learning coupled with group contribution for predicting the density of deep eutectic solvents

A Roosta, R Haghbakhsh, ARC Duarte, S Raeissi - Fluid Phase Equilibria, 2023 - Elsevier
Abstract Deep Eutectic Solvents (DESs) are a recently introduced class of green solvents
with unique and favorable characteristics. Despite their recent debut, the scientific …

Predicting the volumetric properties of pure and mixture of amino acid-based ionic liquids

M Taghizadehfard, SM Hosseini, M Pierantozzi… - Journal of Molecular …, 2019 - Elsevier
This work deals with the equation of state (EOS) and artificial neural network (ANN)
modeling prediction of the volumetric properties of several pure and mixtures of amino acid …

Coupling machine learning and group contribution method to predict density and viscosity of ionic liquid-inorganic solvent-water ternary mixtures

S Ma, Y Lei, Y Chen, X Liu, Y Chen - Chemical Engineering …, 2025 - Taylor & Francis
Accurate prediction of the physical properties of mixed systems is essential for efficient
industrial design and process optimization. This study explores the use of a hybrid approach …

Assessing Viscosity in Sustainable Deep Eutectic Solvents and Cosolvent Mixtures: An Artificial Neural Network-Based Molecular Approach

LV Tavares Duarte de Alencar… - ACS Sustainable …, 2024 - ACS Publications
Deep eutectic solvents (DESs) are gaining recognition as environmentally friendly solvent
alternatives for diverse chemical processes. Yet, designing DESs tailored to specific …

Modeling Study on the Density and Viscosity of Ionic Liquid–Organic Solvent–Water Ternary Mixtures

Y Lei, S Ma, L Du, X Liu, X Wu, X Liang… - Industrial & …, 2024 - ACS Publications
The accurate prediction of physical properties is critical for the successful application of both
conventional and novel chemicals across various industries. This work focuses on predictive …