Block copolymer for functional nano materials

Battery electrolytes

Battery electrolytes require two major properties: i) ion-conductivity and ii) mechanical stability. Diblock copolymer materials offer the opportunity to provide each property with one of the two blocks. The chemistry of each block can be optimized to excel for its job.

However, the morphology needs to be bicontinous to provide their functions macroscopically to the bulk, which is at odds with equilibrium phase diagram. I investigate kinetically trapped morphologies for their suitability for this application on an engineering length scales up to micrometers with simulation of billions of particles - only possible via HPC GPU simulation with my software SOMA.

• Engineering Scale Simulation of Nonequilibrium Network Phases for Battery Electrolytes

Morphology modification via shear flow

Spinodal decomposition of symmetric diblock copolymers rarely results in the equilibrium lamellae phase. For applications it may, however, be essential to achieve macroscopic alignment. In the collaboration with my experimental colleagues, we investigate which orientations are stable and the transition mechanisms of the lamellae under shear flow.

• Transitions between Lamellar Orientations in Shear Flow

• Diblock Copolymers with Similar Glass Transition Temperatures in Both Blocks for Comparing Shear Orientation Processes with DPD Computer Simulations

Confinement can be an interested factor to order microphase separation.
In this example, I talk about symmetric diblock copolymers in cylindrical confinement for a poster presentation at APS 2022.

• Symmetric Diblock Copolymers in Cylindrical Confinement: A Way to Chiral Morphologies?