Deep insights into the viscosity of deep eutectic solvents by an XGBoost-based model plus SHapley Additive exPlanation

D Shi, F Zhou, W Mu, C Ling, T Mu, G Yu… - Physical Chemistry …, 2022 - pubs.rsc.org
Deep eutectic solvents (DESs) are emerging as novel green solvents for the processes of
mass transport and heat transfer, in which the viscosity of DESs is important for their …

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 …

[HTML][HTML] Deep eutectic solvent viscosity prediction by hybrid machine learning and group contribution

A Roosta, R Haghbakhsh, ARC Duarte… - Journal of Molecular …, 2023 - Elsevier
In this study, hybrid machine learning nonlinear models were developed to predict the
viscosity of DESs by combining the group contribution (GC) concept with the multilayer …

Transition state theory-inspired neural network for estimating the viscosity of deep eutectic solvents

LY Yu, GP Ren, XJ Hou, KJ Wu, Y He - ACS central science, 2022 - ACS Publications
The lack of accurate methods for predicting the viscosity of solvent materials, especially
those with complex interactions, remains unresolved. Deep eutectic solvents (DESs), an …

Viscosity model of deep eutectic solvents from group contribution method

LY Yu, XJ Hou, GP Ren, KJ Wu, CH He - AIChE Journal, 2022 - Wiley Online Library
Deep eutectic solvents (DESs), a novel category of sustainable solvents, are expected to
achieve the design of the chemical processes without utilizing or generating harmful …

Estimating the density of deep eutectic solvents applying supervised machine learning techniques

M Abdollahzadeh, M Khosravi… - Scientific Reports, 2022 - nature.com
Deep eutectic solvents (DES) are recently synthesized to cover limitations of conventional
solvents. These green solvents have wide ranges of potential usages in real-life …

Density of deep eutectic solvents: the path forward cheminformatics-driven reliable predictions for mixtures

AK Halder, R Haghbakhsh, IV Voroshylova… - Molecules, 2021 - mdpi.com
Deep eutectic solvents (DES) are often regarded as greener sustainable alternative solvents
and are currently employed in many industrial applications on a large scale. Bearing in mind …

Combining High-Throughput Experiments and Active Learning to Characterize Deep Eutectic Solvents

DO Abranches, W Dean, M Muñoz… - ACS Sustainable …, 2024 - ACS Publications
The high tunability of deep eutectic solvents (DESs) stems from the ease of changing their
precursors and relative compositions. However, measuring the physicochemical properties …

Meta-analysis of viscosity of aqueous deep eutectic solvents and their components

G Gygli, X Xu, J Pleiss - Scientific reports, 2020 - nature.com
Deep eutectic solvents (DES) formed by quaternary ammonium salts and hydrogen bond
donors are a promising green alternative to organic solvents. Their high viscosity at ambient …

A general viscosity model for deep eutectic solvents: The free volume theory coupled with association equations of state

R Haghbakhsh, K Parvaneh, S Raeissi, A Shariati - Fluid Phase Equilibria, 2018 - Elsevier
Deep eutectic solvents (DESs) make up a most-recent category of 'green'solvents with a
potentially promising future. Insignificant vapor pressure, biodegradability, low cost, task …