Computer-aided molecular design of ionic liquids as advanced process media: a review from fundamentals to applications
The unique physicochemical properties, flexible structural tunability, and giant chemical
space of ionic liquids (ILs) provide them a great opportunity to match different target …
space of ionic liquids (ILs) provide them a great opportunity to match different target …
Deep learning and knowledge-based methods for computer-aided molecular design—toward a unified approach: State-of-the-art and future directions
The optimal design of compounds through manipulating properties at the molecular level is
often the key to considerable scientific advances and improved process systems …
often the key to considerable scientific advances and improved process systems …
Group contribution-based property estimation methods: advances and perspectives
R Gani - Current Opinion in Chemical Engineering, 2019 - Elsevier
Highlights•A brief overview on the state of the art in group-contribution based property
estimation methods, which are simple methods, easy to use, have some predictive …
estimation methods, which are simple methods, easy to use, have some predictive …
An overview on the toxicological properties of ionic liquids toward microorganisms
M Sivapragasam, M Moniruzzaman… - Biotechnology …, 2020 - Wiley Online Library
Ionic liquids (ILs), a class of materials with unique physicochemical properties, have been
used extensively in the fields of chemical engineering, biotechnology, material sciences …
used extensively in the fields of chemical engineering, biotechnology, material sciences …
Predictive modeling on the surface tension and viscosity of ionic liquid-organic solvent mixtures via machine learning
Background a comprehensive collection of reliable open-source data was compiled,
encompassing 3454 data points for surface tension and 28,548 data points for viscosity of IL …
encompassing 3454 data points for surface tension and 28,548 data points for viscosity of IL …
[HTML][HTML] Natural gas sweetening using tailored ionic liquid-methanol mixed solvent with selective removal of H2S and CO2
Natural gas is often preferred in various energy applications due to its many advantages
over conventional fossil fuels such as oil and coal. However, the removal of pollutants from …
over conventional fossil fuels such as oil and coal. However, the removal of pollutants from …
Process simulation and optimization on ionic liquids
Ionic liquids (ILs) are promising alternative compounds that enable the development of
technologies based on their unique properties as solvents or catalysts. These technologies …
technologies based on their unique properties as solvents or catalysts. These technologies …
Prediction of the solubility of acid gas hydrogen sulfide in green solvent ionic liquids via quantitative structure–property relationship models based on the molecular …
T Liu, Z Dong, W Zhu, Y Chen, M Zhou… - ACS Sustainable …, 2023 - ACS Publications
Ionic liquids (ILs) can be used as capturing acidic gases that damage the environment. By
establishing a quantitative structure–property relationship (QSPR) model of the IL structure …
establishing a quantitative structure–property relationship (QSPR) model of the IL structure …
[HTML][HTML] Machine learning for the prediction of viscosity of ionic liquid–water mixtures
In this work, a nonlinear model that integrates the group contribution (GC) method with a
well-known machine learning algorithm, ie, artificial neural network (ANN), is proposed to …
well-known machine learning algorithm, ie, artificial neural network (ANN), is proposed to …
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 …
viscosity of ionic liquids (ILs) as function of temperature are presented. The group …