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 …

A review of ionic liquids and deep eutectic solvents design for CO2 capture with machine learning

J Sun, Y Sato, Y Sakai, Y Kansha - Journal of Cleaner Production, 2023 - Elsevier
Ionic liquids (ILs) and deep eutectic solvents (DESs) are regarded as the next generation
solvents for carbon capture which consist of cations and anions. Thousands of combinations …

Designing deep eutectic solvents for efficient CO2 capture: A data-driven screening approach

DM Makarov, YA Fadeeva, VA Golubev… - Separation and …, 2023 - Elsevier
The continuous increase in carbon dioxide emissions into the atmosphere necessitates the
exploration of new, efficient, and environmentally friendly systems for CO 2 capture. Deep …

Novel hybrid QSPR-GPR approach for modeling of carbon dioxide capture using deep eutectic solvents

I Salahshoori, A Baghban, A Yazdanbakhsh - RSC advances, 2023 - pubs.rsc.org
In recent years, deep eutectic solvents (DESs) have garnered considerable attention for their
potential in carbon capture and utilization processes. Predicting the carbon dioxide (CO2) …

Accurate machine learning for predicting the viscosities of deep eutectic solvents

M Mohan, KD Jetti, MD Smith… - Journal of Chemical …, 2024 - ACS Publications
Deep eutectic solvents (DESs) are emerging as environmentally friendly designer solvents
for mass transport and heat transfer processes in industrial applications; however, the lack of …

Direct air capture of CO2: from insights into the current and emerging approaches to future opportunities

M Zeeshan, MK Kidder, E Pentzer… - Frontiers in …, 2023 - frontiersin.org
The rapid development of direct air capture (DAC) technologies has become critical in order
to remove CO2 from the atmosphere and limit global warming to a maximum of 1.5° C. In this …

Quantum chemistry-driven machine learning approach for the prediction of the surface tension and speed of sound in ionic liquids

M Mohan, MD Smith, ON Demerdash… - ACS Sustainable …, 2023 - ACS Publications
Ionic liquids (ILs) have unique solvent properties and have thus garnered significant interest.
However, exhaustive experimental determination of the physicochemical properties of ILs is …

Composition–property relationships of choline based eutectic solvents: impact of the hydrogen bond donor and CO 2 saturation

R Dikki, V Khokhar, M Zeeshan, S Bhattacharjee… - Green …, 2024 - pubs.rsc.org
Eutectic solvents are tunable for targeted applications through the functional groups in their
hydrogen bond acceptor (HBA) and hydrogen bond donor (HBD) components, as well as …

[HTML][HTML] Machine learning for CO2 capture and conversion: A review

SE Jerng, YJ Park, J Li - Energy and AI, 2024 - Elsevier
Coupled electrochemical systems for the direct capture and conversion of CO 2 have
garnered significant attention owing to their potential to enhance energy-and cost-efficiency …

Predictive understanding of the surface tension and velocity of sound in ionic liquids using machine learning

M Mohan, MD Smith, O Demerdash… - The Journal of …, 2023 - pubs.aip.org
Knowledge of the physical properties of ionic liquids (ILs), such as the surface tension and
speed of sound, is important for both industrial and research applications. Unfortunately …