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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 15: Poster Session I
CPP 15.72: Poster
Monday, March 17, 2025, 19:00–21:00, P4
Exploring Pathways of Supramolecular Self-Assembly at Liquid-Liquid Interfaces — •Mephin Philip Alamcheril1, Friederike Schmid1, and Shikha Dhiman2 — 1Institute for Physics, Johannes Gutenberg University Mainz — 2Department of Chemistry, Johannes Gutenberg University Mainz
A self-assembly process usually occurs through thermodynamic pathways but the co-existence of different intermediates and diverse pathways of self-assembly have been observed. Liquid droplets are one such intermediate in many self-assembly processes, particularly in biological systems, which form through liquid-liquid phase separations (LLPS). Even though LLPS is a very well-known phenomena in polymer chemistry, only little is known about the possible role of LLPS in synthetic small molecule-based self-assembly.
In this project, we aim to study the possible mechanism of self-assembly at the surface of phase separated liquid droplets to explore the structure and dynamics at various stages of self-assembly and provide insights into how it can be controlled and manipulated for various applications. To that end, we develop a simple coarse-grained model for monomers in explicit solvent that self-assemble into fibers. The model is designed to represent BTA-like molecules in water. It is able to capture key characteristics of the experimental system such as the competition of fibril formation and liquid-liquid phase separation. We use it to examine the pathways of fibril formation from phase separated droplets.
Keywords: Liquid liquid phase separation; Molecular dynamics; Dissipative Particle Dynamics; Supramolecular Polymers; Self Assembly