Transition State Theory-Inspired Neural Network for Estimating the Viscosity of Deep Eutectic Solvents.

ABSTRACT: The lack of accurate methods for predicting the viscosity of solvent materials, especially those with complex interactions, remains unresolved. Deep eutectic solvents (DESs), an emerging class of green solvents, have a severe lack of viscosity data, resulting in their application still staying at the stage of random trial and error, and it is difficult for them to be implemented on an industrial scale. In this work, we demonstrate the successful prediction of the viscosity of DESs based on the transition state theory-inspired neural network (TSTiNet). The TSTiNet adopts multilayer perceptron (MLP) for the transition state theory-inspired equation (TSTiEq) parameters calculation and verification using the most comprehensive DESs viscosity data set to date. For the energy parameters of the T

SUBMITTER: Yu LY 

PROVIDER: S-EPMC9335917 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature