Design of liquid-crystalline foods via field theoretic computer simulations

Liquid crystalline foods based on self-assembly of lipids and water present rich phase diagrams, in which the hydrophilic and hydrophobic phases are organized in periodic three-dimensional nano-structures of different types, depending on temperature and composition. Since these systems constitute a rare example of food at local thermodynamic equilibrium, their structure can be predicted, in theory, based on the minimization of the total free energy. In the present work, we review past and recent attempts to predict the equilibrium structure of these materials, based on parametric, geometrical and physically inspired approaches. We also summarize our own efforts towards a general predictive simulation tool based on self-consistent field theory. For a specific lipid–water system, this approach allows predicting which liquid crystalline phases are present at equilibrium, but also the relevant topological parameters at a given temperature and composition, such as the radius of water channels or thickness of water lamellae and lipid bi-layers. Furthermore, the addition of guest molecules in either the hydrophobic or hydrophilic phase can also be accounted in the model. This approach should ultimately allow the design of complex liquid crystalline foods based on multiple components and functional molecules.