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 …
space of ionic liquids (ILs) provide them a great opportunity to match different target …
Microwave encounters ionic liquid: synergistic mechanism, synthesis and emerging applications
Z Zhao, H Li, X Gao - Chemical Reviews, 2023 - ACS Publications
Progress in microwave (MW) energy application technology has stimulated remarkable
advances in manufacturing and high-quality applications of ionic liquids (ILs) that are …
advances in manufacturing and high-quality applications of ionic liquids (ILs) that are …
Machine learning-guided discovery of ionic polymer electrolytes for lithium metal batteries
As essential components of ionic polymer electrolytes (IPEs), ionic liquids (ILs) with high
ionic conductivity and wide electrochemical window are promising candidates to enable …
ionic conductivity and wide electrochemical window are promising candidates to enable …
Prediction of Electrical Conductivity of Ionic Liquids: From COSMO-RS Derived QSPR Evaluation to Boosting Machine Learning
By virtue of their tunable physicochemical and electrochemical properties, ionic liquids (ILs)
provide a promising solution for enhancing the performance and safety of batteries. Toward …
provide a promising solution for enhancing the performance and safety of batteries. Toward …
Sapiential battery systems: beyond traditional electrochemical energy
T Zhang, J Yu, H Guo, J Qi, M Che, M Hou… - Chemical Society …, 2024 - pubs.rsc.org
As indispensable energy-storage technology in modern society, batteries play a crucial role
in diverse fields of 3C products, electric vehicles, and electrochemical energy storage …
in diverse fields of 3C products, electric vehicles, and electrochemical energy storage …
Predictive modeling of physicochemical properties and ionicity of ionic liquids for virtual screening of novel electrolytes
DM Makarov, YA Fadeeva, LE Shmukler - Journal of Molecular Liquids, 2023 - Elsevier
In this paper, we present three regression models developed for predicting electrical
conductivity, viscosity, and density of ionic liquids. Combining these machine learning …
conductivity, viscosity, and density of ionic liquids. Combining these machine learning …
Prediction of nitrogen solubility in ionic liquids by machine learning methods based on COSMO-derived descriptors
Y Tian, X Wang, Y Liu, W Hu - Chemical Engineering Science, 2024 - Elsevier
The inertness of nitrogen (N 2) results in extremely low N 2 solubility in most solvents.
However, in some important reactions, such as the nitrogen reduction reaction (NRR) driven …
However, in some important reactions, such as the nitrogen reduction reaction (NRR) driven …
Thermophysical property prediction of anion-functionalized ionic liquids for CO2 capture
AN Keller, P Kelkar, M Baldea, MA Stadtherr… - Journal of Molecular …, 2024 - Elsevier
We develop a machine learning framework for predicting the density, viscosity, and heat
capacity of a family of anion-functionalized ionic liquids for CO 2 capture, specifically those …
capacity of a family of anion-functionalized ionic liquids for CO 2 capture, specifically those …
Machine learning predictions of diffusion in bulk and confined ionic liquids using simple descriptors
Ionic liquids have many intriguing properties and widespread applications such as
separations and energy storage. However, ionic liquids are complex fluids and predicting …
separations and energy storage. However, ionic liquids are complex fluids and predicting …
Application of machine learning models to predict cytotoxicity of ionic liquids using VolSurf principal properties
GA Tabaaza, BN Tackie-Otoo, DB Zaini… - Computational …, 2023 - Elsevier
Abstract Ionic Liquids (ILs) are considered greener alternatives to traditional organic
solvents due to their unique physical and chemical properties. Nevertheless, recent studies …
solvents due to their unique physical and chemical properties. Nevertheless, recent studies …