Complex Fluids and Flow

We calculate the redox potential and reorganisation free energy for molecules in complex environments. In particular we elucidated the role of the environment (solvent, protein scaffold) and its H-bond network on the electrochemical properties of several systems such as quinones and metalloproteins. Further works involves electrochemical properties of solid/liquid interfaces. For more information, please contact Marialore Sulpizi.

Complex liquids under flow are ubiquitous in nature and technology, ranging from the flow of blood in our bodies to the flow of surfactants in enhanced oil recovery. We are in particular interested in studying and designing microfluidic devices for sorting and separating colloidal particles based on their size and deformability. Such systems are especially important for biotechnological applications, for example protein purification, cell sorting, and early diagnosis of pathogenes.
However, little is known about the underlying physics of complex systems under flow, impeding the design and fabrication of effective devices. Computer simulations play a substantial role in advancing this field, as they allow for microscopic insights and precise control over the system parameters, which is otherwise often challenging or even impossible in experiments. For more information, please contact Arash Nikoubashman .

The structure and dynamics of nano-objects (polymers, colloids) in solution is to a large extent governed by their interaction with the solvent. We aim at developing efficient methods for simulating nano-objects (polymers, colloids) that are dispersed in complex fluids, at equilibrium and nonequilibrium.

In particular, we are interested in studying electrolyte solvents, where the interplay of electrostatic interactions and hydrodynamic flows gives rise to a wealth of intriguing phenomena on a wide range of time and length scales. Physical problems of interest are the electrophoresis of charged polyelectrolytes or colloids in microchannels with different geometries and wall structurings, or the dielectrophoresis of polyelectrolytes or colloids in alternating electric fields. For more information, please contact Friederike Schmid .