  Deep eutectic solvents (DESs) have gained attention in recent years as
attractive alternatives to traditional solvents. There is a growing number of
publications dealing with the thermodynamic modeling of DESs highlighting the
importance of modeling the solutions' properties. In this review, we summarize
the state-of-the-art in DES modeling as well as its current challenges. We also
summarize the various modeling approaches to phase equilibria and properties of
DESs with gE-models, EOS and molecular dynamics (MD) simulations. The current
gE-model and EOS-based approaches handle DESs as pseudo-components in order to
simplify the parameterizations and calculation strategies. However, for the
models to become more transferable and predictive, it would be preferable to
model the individual DES constituents instead of using the pseudo-components.
This implies that validation with more detailed experimental data that includes
the distribution of the DES components is also required. MD simulations, in
contrast to gE-models and EOS, are capable of providing information about the
liquid structure and can predict dynamic properties although, the latter
quantities still show some imprecisions. Therefore, insights into the liquid
structure of DES systems from MD could also aid in improving present modeling
strategies in addition to a better understanding. Finally, the latest
developments for DES force fields are discussed as the quality of the applied
force fields determine the results of MD simulations.
