As
traditional methods for retrieving natural vitamin E suffer
from harsh operating conditions and poor process performance, seeking
more energy-efficient and sustainable alternative approaches is highly
desirable. In this work, deep eutectic solvents (DESs) as a class
of emerging media are particularly proposed for the extraction of
vitamin E (modeled by α-tocopherol) from deodorized distillates
under mild operating conditions. To select DESs suitable for this
task, a rational screening method is presented which covers the thermodynamic
evaluation of individual components and component combinations, the
assessment of environment, health, and safety (EHS) impacts of components,
and the eutectic behavior estimation of component combinations. Based
on experimentally reported DESs from the literature, individual components
as well as random combinations of potential hydrogen bond acceptors
(HBAs) and hydrogen bond donors (HBDs) are successively prescreened
by COSMO-RS predicted thermodynamic properties. Five EHS-related properties
of HBDs are assessed by VEGA. The formation of eutectics and the corresponding
operating window of different HBA–HBD combinations are estimated
by COSMO-RS solid–liquid equilibria prediction. Experiments
are finally performed with the top-ranked DESs, which well validates
the reliability of the screening method and identifies tetrabutylphosphonium
chloride–ethanolamine (2:1) as a suitable DES for the α-tocopherol
extraction.