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 …

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 …

[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 …

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 …

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 …

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 …

Viscosity of deep eutectic solvents: Predictive modeling with experimental validation

DM Makarov, AM Kolker - Fluid Phase Equilibria, 2025 - Elsevier
Viscosity, the measure of a fluid's resistance to deformation, is a critical parameter in many
industries. Being able to accurately predict viscosity is essential for the successful design …

Predicting the surface tension of deep eutectic solvents using artificial neural networks

T Lemaoui, A Boublia, AS Darwish, M Alam, S Park… - ACS …, 2022 - ACS Publications
Studies on deep eutectic solvents (DESs), a new class of “green” solvents, are attracting
increasing attention from researchers, as evidenced by the rapidly growing number of …

Machine learning coupled with group contribution for predicting the density of deep eutectic solvents

A Roosta, R Haghbakhsh, ARC Duarte, S Raeissi - Fluid Phase Equilibria, 2023 - Elsevier
Abstract Deep Eutectic Solvents (DESs) are a recently introduced class of green solvents
with unique and favorable characteristics. Despite their recent debut, the scientific …

DESignSolvents: an open platform for the search and prediction of the physicochemical properties of deep eutectic solvents

V Odegova, A Lavrinenko, T Rakhmanov, G Sysuev… - Green …, 2024 - pubs.rsc.org
The use of organic solvents in various industries poses significant environmental risks. Deep
eutectic solvents (DESs) have emerged as a promising alternative due to their …