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 …

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 …

Prediction of the binary density of the ILs+ water using back-propagated feed forward artificial neural network

SA Shojaee, ZA Hezave, M Lashkarbolooki… - Chemical Industry …, 2014 - doiserbia.nb.rs
In this study, feasibility of a back-propagated artificial neural network to correlate the binary
density of ionic liquids (ILs) mixtures containing water as the common solvent has been …

Prediction of the selectivity coefficient of ionic liquids in liquid-liquid equilibrium systems using artificial neural network and excess Gibbs free energy models

SM Dehnavi, G Pazuki, I Goodarznia… - Particulate Science …, 2010 - Taylor & Francis
In this work, the selectivity coefficients of ionic liquids in liquid-liquid systems were correlated
and predicted by the NRTL, UNIQUAC, and Wilson-NRF Gibbs free energy models and also …

Chemical structure and thermodynamic properties based models for estimating nitrous oxide solubility in ionic Liquids: Equations of state and Machine learning …

R Nakhaei-Kohani, S Atashrouz… - Journal of Molecular …, 2022 - Elsevier
In past decades, nitrous oxide (N 2 O), a strong greenhouse gas, has become a serious
transdisciplinary issue. As a result, removing N 2 O utilizing strong green solvents like ionic …

A new model for prediction of binary mixture of ionic liquids+ water density using artificial neural network

A Najafi-Marghmaleki, MR Khosravi-Nikou… - Journal of Molecular …, 2016 - Elsevier
This study highlights the application of artificial neural network for prediction of density
values in a binary mixture of water and ionic liquids at different temperature for different …

Prediction carbon dioxide solubility in ionic liquids based on deep learning

T Deng, F Liu, G Jia - Molecular Physics, 2020 - Taylor & Francis
Ionic liquids have a great potential in capture and separation of carbon dioxide (CO2), and
the solubility of CO2 in ionic liquids is one of key data for engineering applications. In this …

Machine learning-assisted modeling study on the density and heat capacity of ionic liquid-organic solvent binary systems

X Liu, J Gao, Y Chen, Y Fu, Y Lei - Journal of Molecular Liquids, 2023 - Elsevier
Abstract Properties of ionic liquids (ILs) play a crucial role in solvent design, process design,
and process simulation for their various industrial applications. However, ILs come in a wide …

Prediction of liquid–liquid equilibrium behavior for aliphatic+ aromatic+ ionic liquid using two different neural network-based models

M Hakim, G Behmardikalantari, HA Najafabadi… - Fluid Phase …, 2015 - Elsevier
In this study, the liquid–liquid phase behavior of aromatic compound+ aliphatic compound+
ionic liquid (IL) ternary systems was estimated by using two artificial neural networks (ANN) …

Modeling solubility of oxygen in ionic liquids: Chemical structure-based machine learning systems compared to equations of state

R Nakhaei-Kohani, S Atashrouz… - Fluid Phase …, 2023 - Elsevier
The solubility of different gases such as O 2 in different liquids and finding the proper solvent
for the gas separation process is one of the important concerns that has received much …