Investigation of ring and star polymers in confined geometries: theory and simulations
Authors:
- Joanna Halun,
- Paweł Karbowniczek,
- Piotr Kuterba,
- Zoriana Danel
Abstract
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 Theta-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 nanoparticles 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 x 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.
- Record ID
- CUT83bef7c106b044f1a1a6fbac214dd1cf
- Publication categories
- ; ;
- Author
- Journal series
- Entropy, ISSN , e-ISSN 1099-4300, Monthly
- Issue year
- 2021
- Vol
- 23
- No
- 2
- Pages
- [1-24]
- Article number
- 242
- Other elements of collation
- tab.; wykr.; Bibliografia (na s.) - 22-24; Bibliografia (liczba pozycji) - 85; Oznaczenie streszczenia - Abstr.; Numeracja w czasopiśmie - Vol. 23, Iss. 2, Spec. Iss.
- Substantive notes
- Tyt. Spec. Iss.: Selected Papers from 45th Conference of the Middle European Cooperation in Statistical Physics
- Sekcja: Statistical Physics
- Conference
- 45th Conference of the Middle European Cooperation in Statistical Physics (MECO 45), 2020, 14-09-2020 - 16-09-2020, Online, Rumunia
- Keywords in English
- critical phenomena, surface effects, renormalization group, polymers
- DOI
- DOI:10.3390/e23020242 Opening in a new tab
- URL
- https://www.mdpi.com/1099-4300/23/2/242 Opening in a new tab
- Language
- eng (en) English
- License
- Score (nominal)
- 100
- Additional fields
- Indeksowana w: Web of Science, Scopus
- Uniform Resource Identifier
- https://cris.pk.edu.pl/info/article/CUT83bef7c106b044f1a1a6fbac214dd1cf/
- URN
urn:pkr-prod:CUT83bef7c106b044f1a1a6fbac214dd1cf
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