Cyclic polymers revealing topology effects upon self-assemblies, dynamics and responses

T Yamamoto, Y Tezuka - Soft Matter, 2015 - pubs.rsc.org
A variety of single-and multicyclic polymers having programmed chemical structures with
guaranteed purity have now become obtainable owing to a number of synthetic …

Using Monte Carlo to simulate complex polymer systems: Recent progress and outlook

VG Mavrantzas - Frontiers in Physics, 2021 - frontiersin.org
Metropolis Monte Carlo has been employed with remarkable success over the years to
simulate the dense phases of polymer systems. Owing, in particular, to the freedom it …

Theta temperature depression of mechanically interlocked polymers:[2] catenane as a model polymer

H Guo, K Qian, M Tsige - Macromolecules, 2023 - ACS Publications
Polycatenanes have recently attracted considerable attention due to their potential for many
applications and as model systems for understanding the role of mechanical interlocking in …

Conformation and structure of ring polymers in semidilute solutions: A molecular dynamics simulation study

X Cai, C Liang, H Liu, G Zhang - Polymer, 2022 - Elsevier
Scaling is one of the most fundamental concepts in theoretical polymer physics. For linear
polymers in semidilute solutions under a good solvent condition, there has been a well …

Dimensional and shape properties of a single linear polycatenane: Effect of catenation topology

H Lei, J Zhang, L Wang, G Zhang - Polymer, 2021 - Elsevier
Abstract Effect of topological catenation on dimensional and shape properties of a single
linear polycatenane (or [n] catenane), a polymer composed entirely of interlocking rings …

Chain conformations of ring polymers under theta conditions studied by Monte Carlo simulation

J Suzuki, A Takano, Y Matsushita - The Journal of Chemical Physics, 2013 - pubs.aip.org
We studied equilibrium conformations of trivial-, 3 1-knot, and 5 1-knot ring polymers with
finite chain length at their θ-conditions using a Monte Carlo simulation. The polymer chains …

The scaling behavior of the second virial coefficient of linear and ring polymer

B Li, Z Sun, L An, ZG Wang - Science China Chemistry, 2016 - Springer
The scaling behavior of the second virial coefficient of ring polymers at the theta temperature
of the corresponding linear polymer (θ L) is investigated by off-lattice Monte Carlo …

Static and dynamic properties of polymer brush with topological ring structures: molecular dynamic simulation

WB Wan, HH Lv, H Merlitz, CX Wu - Chinese Physics B, 2016 - iopscience.iop.org
By defining a topological constraint value (rn), the static and dynamic properties of a polymer
brush composed of moderate or short chains with different topological ring structures are …

Dimensions of catenated ring polymers in dilute solution studied by Monte-Carlo simulation

J Suzuki, A Takano, Y Matsushita - The Journal of Chemical Physics, 2018 - pubs.aip.org
Interaction between two simple ring chains catenated in a molecule was estimated by a
Metropolis Monte Carlo simulation, and the result was compared with a model. We …

Interactions between ring polymers in dilute solution studied by Monte Carlo simulation

J Suzuki, A Takano, Y Matsushita - The Journal of Chemical Physics, 2015 - pubs.aip.org
The second virial coefficient, A 2, for trivial-ring polymers in dilute condition was estimated
from a Metropolis Monte Carlo (MC) simulation, and the temperature dependence of A 2 has …