Dresden 2017 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 15: Poster: Membranes, Biomaterials, Biopolymers

CPP 15.5: Poster

Monday, March 20, 2017, 18:30–21:00, P1C

A theoretical model of the frame-guided assembly process — •Simon Raschke and Andreas Heuer — Inst. für Phys. Chem., Corrensstr. 28/30, D-48149 Münster

The formation of self assembled structures such as micelles and vesicles has been intensively studied and is well understood. Recent studies [1] use a new approach of vesicle formation by starting with a molecular frame (based, e.g., on DNA) which serves as the basis of new micelles/vesicles. In this way (i) shape and size of the desired micelle/vesicle can be predefined, e.g., by using ellipsoidal rather than spherical molecular frames, and (ii) the ability to generate regularly shaped vesicles can be enhanced.

While the self assembly of micelles/vesicles is relatively well understood, the frame-guided assembly process has not yet been explored in depth from a theoretical perspective. We developed a theoretical model of the frame and the amphiphilic molecules which via Monte Carlo simulations can be analysed to obtain information about the driving forces and the kinetic properties of micelle/vesicle formation. Via optimized simulation routines very large systems can be handled in order to be close to the typical sizes, relevant for the experimental situation.

[1] Dong, Y., Yang, Z. & Liu, D. Small 11, 3768*3771 (2015).