Thermal properties of knotted block copolymer rings with charged monomers subjected to short-range interactions

ORAL

Abstract

The subject of this talk are the thermal properties of coarse grained knotted copolymer rings fluctuating in a highly screening solution and defined on a simple cubic lattice. The rings contain two kinds of monomers A and B with opposite charges that are subjected to short range interactions. The used model reminds similar models that are applied in proteins.

Similar as in proteins, we find that knotted polymers with an excess of monomers of one kind admit rearrangements leading to metastable states. The temperatures at which the intermediate phase is occurring and other features can be tuned by changing the topology of the system. Finally, a method that is able to capture the relevant properties of the structure of knotted polymer rings in solution will be presented.

* The research presented here has been supported by the Polish National Science Centre under Grant No. 2020/37/B/ST3/01471. This work results within the col- laboration of the COST Action CA17139 (EUTOPIA). L.T. acknowledges financial support from ICSC-Centro Nazionale di Ricerca in High Performance Computing, Big Data and Quantum Computing, funded by European Union- NextGenerationEU. The simulations reported in this work were performed in part using the HPC cluster HAL9000 of the University of Szczecin. The use of some of the facili- ties of the Laboratory of Polymer Physics of the University of Szczecin, financed by a grant of the European Regional Development Funding in the frame of the project eLBRUS (Contract No. WND-RPZP.01.02.02-32-002/10), is gratefully acknowledged.

Publication: Taklimi, Neda Abbasi, Franco Ferrari, Marcin Radosław Piątek, and Luca Tubiana. "Thermal properties of knotted block copolymer rings with charged monomers subjected to short-range interactions." Physical Review E 108, no. 3 (2023): 034503

Presenters

  • Neda Abbasi

    University of Szczecin

Authors

  • Neda Abbasi

    University of Szczecin

  • Franco Ferrari

    University of Szczecin

  • Luca Tubiana

    University of Trento

  • Marcin R Piatek

    University of Szczecin