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 …

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 …

Machine learning assisted predictions for hydrogen storage in metal-organic frameworks

K Salehi, M Rahmani, S Atashrouz - International Journal of Hydrogen …, 2023 - Elsevier
Metal organic frameworks (MOFs) have been studied vastly for hydrogen storage purposes
due to their unique properties. In the present work hydrogen storage capacity is modeled …

Machine learning assisted structure-based models for predicting electrical conductivity of ionic liquids

R Nakhaei-Kohani, SA Madani, SP Mousavi… - Journal of Molecular …, 2022 - Elsevier
Ionic liquids (ILs) have attracted a great deal of attention as vital compounds that are widely
used in various industries, such as the chemical and petroleum industries. Therefore …

A review on created QSPR models for predicting ionic liquids properties and their reliability from chemometric point of view

B Sepehri - Journal of Molecular Liquids, 2020 - Elsevier
Ionic liquids (ILs) are chemicals that have attracted the attention of scientists and engineers
because of their various applications in industry. It is important to predict the value of their …

Modeling surface tension of ionic liquids by chemical structure-intelligence based models

SP Mousavi, S Atashrouz, MN Amar… - Journal of Molecular …, 2021 - Elsevier
Surface tension is one of the most significant physicochemical characteristics in process
design, industrial applications of heterogeneous systems, and scientific applications. To …

[HTML][HTML] Viscosity of ionic liquids: Application of the Eyring's theory and a committee machine intelligent system

SP Mousavi, S Atashrouz, M Nait Amar… - Molecules, 2020 - mdpi.com
Accurate determination of the physicochemical characteristics of ionic liquids (ILs),
especially viscosity, at widespread operating conditions is of a vital role for various fields. In …

Modeling thermal conductivity of nanofluids using advanced correlative approaches: Group method of data handling and gene expression programming

F Hadavimoghaddam, S Atashrouz, F Rezaei… - … Communications in Heat …, 2022 - Elsevier
Accurate estimation of thermal conductivity (TC) of nanofluids is essential in thermophysical
studies of nanofluids. In this study, more than 3200 data of thermal conductivity of nanofluids …

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) …

Surface tension of binary mixtures containing environmentally friendly ionic liquids: insights from artificial intelligence

R Setiawan, R Daneshfar, O Rezvanjou… - Environment …, 2021 - Springer
The surface tension (ST) of ionic liquids (ILs) and their accompanying mixtures allows
engineers to accurately arrange new processes on the industrial scale. Without any doubt …