Everything you wanted to know about deep eutectic solvents but were afraid to be told

DO Abranches, JAP Coutinho - Annual Review of Chemical and …, 2023 - annualreviews.org
Are deep eutectic solvents (DESs) a promising alternative to conventional solvents?
Perhaps, but their development is hindered by a plethora of misconceptions. These are …

[HTML][HTML] Computer simulations of deep eutectic solvents: Challenges, solutions, and perspectives

D Tolmachev, N Lukasheva, R Ramazanov… - International journal of …, 2022 - mdpi.com
Deep eutectic solvents (DESs) are one of the most rapidly evolving types of solvents,
appearing in a broad range of applications, such as nanotechnology, electrochemistry …

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 …

Accurate prediction of carbon dioxide capture by deep eutectic solvents using quantum chemistry and a neural network

M Mohan, O Demerdash, BA Simmons, JC Smith… - Green …, 2023 - pubs.rsc.org
Carbon dioxide (CO2) emissions from fossil fuel combustion are a significant source of
greenhouse gas, contributing in a major way to global warming and climate change. Carbon …

In silico COSMO-RS predictive screening of ionic liquids for the dissolution of plastic

M Mohan, JD Keasling, BA Simmons, S Singh - Green Chemistry, 2022 - pubs.rsc.org
Plastic waste is currently produced at an alarmingly high rate, nearing 400 Mt per year. The
accumulation of plastics in the environment is growing rapidly, yet our knowledge of their …

Deep eutectic solvents or eutectic mixtures? Characterization of tetrabutylammonium bromide and nonanoic acid mixtures

A Shishov, P Makoś-Chełstowska… - The Journal of …, 2022 - ACS Publications
Deep eutectic solvents have quickly attracted the attention of researchers because they
better meet the requirements of green chemistry and thus have the potential to replace …

Perspectives and guidelines on thermodynamic modelling of deep eutectic solvents

III Alkhatib, D Bahamon, F Llovell… - Journal of Molecular …, 2020 - Elsevier
In the quest for green and sustainable solvents, deep eutectic solvents (DESs) have
emerged as an attractive and multipurpose material with demonstrated applicability in …

Mechanism of deep eutectic solvent delignification: insights from molecular dynamics simulations

H Xu, Y Kong, J Peng, W Wang, B Li - ACS Sustainable Chemistry …, 2021 - ACS Publications
Based on the field of ReaxFF, the pretreatment of a lignin–carbohydrate complex model in a
choline chloride-based deep eutectic solvent was proposed. The results showed that the β …

Liquid–liquid extraction of lower alcohols using menthol-based hydrophobic deep eutectic solvent: experiments and COSMO-SAC predictions

R Verma, T Banerjee - Industrial & Engineering Chemistry …, 2018 - ACS Publications
The lower alcohols tend to form azeotropic solution with water which makes the separation
challenging. The current work primarily focuses on the synthesis and application of a …

Multiscale molecular simulations for the solvation of lignin in ionic liquids

M Mohan, BA Simmons, KL Sale, S Singh - Scientific Reports, 2023 - nature.com
Lignin, the second most abundant biopolymer found in nature, has emerged as a potential
source of sustainable fuels, chemicals, and materials. Finding suitable solvents, as well as …