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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 24: Poster Session I

CPP 24.21: Poster

Montag, 16. März 2020, 17:30–19:30, P3

Self-Assembly of Polymers in Presence of Solvent Evaporation — •Gregor Ibbeken and Marcus Müller — Georg-August Universität, Göttingen, Deutschland

Integral asymmetric polymer membranes are promising functional macromolecular systems which have numerous applications, like water purification and protein separation. Since their synthesis requires high control over kinetic pathways, a description in terms of statistical physics and exploiting computer simulations will help improve understanding and production. Here we tackle a process combining self- assembly of asymmetric diblock copolymers and non-solvent induced phase separation using continuum descriptions of self-assembling polymer systems. First, model B for the Ohta-Kawasaki free energy functional, which successfully describes dynamics of diblock copolymers, is phenomenologically altered to feature space and time dependent parameters. This mimics the impact of solvents. In a second step the impact of solvents is explicitly investigated using the Uneyama-Doi functional, a model capable of describing arbitrary polymer mixtures. Appropriate parameter regions and thus corresponding kinetic pathways in which the copolymers form ideal standing cylinders, later functioning as pores, are identified. Finally, bridging the gap between simulation and experiment, the parameters are mapped to experimental ones, such as mobilities and Flory-Huggins parameters.