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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 22: Poster Session III - Charged Soft Matter and Theory and Simulation

CPP 22.22: Poster

Mittwoch, 24. März 2021, 16:30–18:30, CPPp

Co-nonsolvency effect on phase segregation of polymer solution — •Zahra Mohammadyarloo and Jens-uwe Sommer — Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Str. 6, 01069 Dresden

Phase segregation of polymer solution in the presence of cosolvent (CNS) is studied by molecular dynamics simulations, where CNS particles are preferential solvent for the polymers. Simulation results for different attraction strengths are compared with the prediction of the adsorption-attraction mean-field theory under constant osmotic pressure. The osmotic pressure has been simulated by a semi-permeable wall in the simulation box. The polymer solution without cosolvent was prepared in the semi-dilute state. Polymer concentration increases until reach a peak by adding more CNS particles, then decreases in higher concentrations of CNS. The radius of gyration of individual chains also display as non-monotonic behavior which in part be explained by the scaling law in semi-dilute solutions, and with the increasing effective excluded due to adsorption of cosolvent. At higher attraction strengths a jump-like collapse of the polymer volume can be observed which corresponds to a type-II phase transition of the polymer solution. For interaction strengths greater than critical, two states of polymer solution coexists. Furthermore we have calculated the single-chain and collective structure factors. The dynamics was studied and the monomer diffusion coefficient was presented as a function of attraction strength.