Energy applications of ionic liquids: recent developments and future prospects

T Zhou, C Gui, L Sun, Y Hu, H Lyu, Z Wang… - Chemical …, 2023 - ACS Publications
Ionic liquids (ILs) consisting entirely of ions exhibit many fascinating and tunable properties,
making them promising functional materials for a large number of energy-related …

Viscosity of ionic liquids: Theories and models

N Gao, Y Yang, Z Wang, X Guo, S Jiang, J Li… - Chemical …, 2023 - ACS Publications
Ionic liquids (ILs) offer a wide range of promising applications due to their unique and
designable properties compared to conventional solvents. Further development and …

Optimal Design of Aqueous Two-Phase Systems for Biomolecule Partitioning

Y Chen, X Liang, GM Kontogeorgis - Industrial & Engineering …, 2023 - ACS Publications
Aqueous two-phase systems (ATPS) have exhibited superior performance in many
biotechnological applications. To promote the implementation of these powerful platforms by …

Predictive modeling on the surface tension and viscosity of ionic liquid-organic solvent mixtures via machine learning

Y Lei, Y Shu, X Liu, X Liu, X Wu, Y Chen - Journal of the Taiwan Institute of …, 2023 - Elsevier
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 …

[HTML][HTML] Impact of inhibition mechanisms, automation, and computational models on the discovery of organic corrosion inhibitors

DA Winkler, AE Hughes, C Özkan, A Mol… - Progress in Materials …, 2024 - Elsevier
The targeted removal of efficient but toxic corrosion inhibitors based on hexavalent
chromium has provided an impetus for discovery of new, more benign organic compounds …

Ionic liquid binary mixtures: Machine learning‐assisted modeling, solvent tailoring, process design, and optimization

Y Chen, S Ma, Y Lei, X Liang, X Liu… - AIChE …, 2024 - Wiley Online Library
This work conducts a comprehensive modeling study on the viscosity, density, heat capacity,
and surface tension of ionic liquid (IL)‐IL binary mixtures by combining the group …

[HTML][HTML] Artificial neural network modeling on the polymer-electrolyte aqueous two-phase systems involving biomolecules

Y Chen, X Liang, GM Kontogeorgis - Separation and Purification …, 2023 - Elsevier
Polymer-electrolyte aqueous two-phase systems (ATPS) have demonstrated their superior
performance in the separation and purification of high-value biomolecules. However, these …

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 …

Atomistic modelling approaches to understanding the interfaces of ionic liquid electrolytes for batteries and electrochemical devices

F Chen - Current Opinion in Electrochemistry, 2022 - Elsevier
Interface stability is a core issue in battery research. However, interfacial problems are the
most complex dilemma to solve, and molecular modelling becomes increasingly …

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 …