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Correction published on 16 March 2022, see Entropy 2022, 24(3), 413.
Article

Investigation of Ring and Star Polymers in Confined Geometries: Theory and Simulations

1
Institute of Nuclear Physics, Polish Academy of Sciences, 31-342 Cracow, Poland
2
Institute of Physics, Cracow University of Technology, 30-084 Cracow, Poland
3
Faculty of Physics, Astronomy and Applied Computer Sciences, Jagiellonian University in Cracow, 30-348 Cracow, Poland
*
Author to whom correspondence should be addressed.
Former name: Zoryana Usatenko.
Academic Editor: Zoltán Néda
Entropy 2021, 23(2), 242; https://doi.org/10.3390/e23020242
Received: 15 December 2020 / Revised: 6 February 2021 / Accepted: 8 February 2021 / Published: 19 February 2021 / Corrected: 16 March 2022
The calculations of the dimensionless layer monomer density profiles for a dilute solution of phantom ideal ring polymer chains and star polymers with f=4 arms in a Θ-solvent confined in a slit geometry of two parallel walls with repulsive surfaces and for the mixed case of one repulsive and the other inert surface were performed. Furthermore, taking into account the Derjaguin approximation, the dimensionless layer monomer density profiles for phantom ideal ring polymer chains and star polymers immersed in a solution of big colloidal particles with different adsorbing or repelling properties with respect to polymers were calculated. The density-force relation for the above-mentioned cases was analyzed, and the universal amplitude ratio B was obtained. Taking into account the small sphere expansion allowed obtaining the monomer density profiles for a dilute solution of phantom ideal ring polymers immersed in a solution of small spherical particles, or nano-particles of finite size, which are much smaller than the polymer size and the other characteristic mesoscopic length of the system. We performed molecular dynamics simulations of a dilute solution of linear, ring, and star-shaped polymers with N=300, 300 (360), and 1201 (4 × 300 + 1-star polymer with four arms) beads accordingly. The obtained analytical and numerical results for phantom ring and star polymers are compared with the results for linear polymer chains in confined geometries. View Full-Text
Keywords: critical phenomena; surface effects; renormalization group; polymers critical phenomena; surface effects; renormalization group; polymers
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MDPI and ACS Style

Halun, J.; Karbowniczek, P.; Kuterba, P.; Danel, Z. Investigation of Ring and Star Polymers in Confined Geometries: Theory and Simulations. Entropy 2021, 23, 242. https://doi.org/10.3390/e23020242

AMA Style

Halun J, Karbowniczek P, Kuterba P, Danel Z. Investigation of Ring and Star Polymers in Confined Geometries: Theory and Simulations. Entropy. 2021; 23(2):242. https://doi.org/10.3390/e23020242

Chicago/Turabian Style

Halun, Joanna, Pawel Karbowniczek, Piotr Kuterba, and Zoriana Danel. 2021. "Investigation of Ring and Star Polymers in Confined Geometries: Theory and Simulations" Entropy 23, no. 2: 242. https://doi.org/10.3390/e23020242

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