[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 …

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 …

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 …

Water absorption by deep eutectic solvents

Y Chen, D Yu, W Chen, L Fu, T Mu - Physical Chemistry Chemical …, 2019 - pubs.rsc.org
Deep eutectic solvents (DESs) are one type of green solvents. Most of the DESs could
absorb water from air. However, even a trace amount of water can affect the chemical …

Operational strategies and comprehensive evaluation of menthol based deep eutectic solvent for the extraction of lower alcohols from aqueous media

R Verma, M Mohan, VV Goud… - … Sustainable Chemistry & …, 2018 - ACS Publications
Deep Eutectic Solvents (DESs) are gaining more interest as low-cost extraction media.
Looking at its vast opportunity, the current work explores the extraction of alcohols namely …

Physics-based machine learning models predict carbon dioxide solubility in chemically reactive deep eutectic solvents

M Mohan, ON Demerdash, BA Simmons, S Singh… - ACS …, 2024 - ACS Publications
Carbon dioxide (CO2) is a detrimental greenhouse gas and is the main contributor to global
warming. In addressing this environmental challenge, a promising approach emerges …

Molecular Mechanism and Extraction Performance Evaluation for Separation of Methanol and n-Hexane via Ionic Liquids as Extractant

W Zhang, Z Chen, Y Shen, G Li, Y Dai… - ACS Sustainable …, 2020 - ACS Publications
Biodiesel is considered as one of the best resources to replace fossil fuels. There are a lot of
mixtures of methanol and hexane in the process of biodiesel production. In this study, a …

Molecular dynamics insights and water stability of hydrophobic deep eutectic solvents aided extraction of nitenpyram from an aqueous environment

N Paul, PK Naik, BD Ribeiro… - The Journal of …, 2020 - ACS Publications
In recent times, deep eutectic solvents (DES) have received attention as an extractive media
for separations. In this work, the water stability of eight menthol-based DESs and two …

Experimental and mechanistic investigation of amide-based deep eutectic solvents for quinoline extraction and separation from wash oil

D Hu, Q Wang, X Wang, T Li, J Li, Y Chen… - Industrial & …, 2024 - ACS Publications
This study undertakes a comprehensive examination of the action mechanism of deep
eutectic solvents (DESs) as extractants in the extraction and separation process of quinoline …