Entropic Sampling of Free and Ring Polymer Chains

2005 ◽  
Vol 14 (8) ◽  
pp. 491-504 ◽  
Author(s):  
Nikolai A. Volkov ◽  
Anton A. Yurchenko ◽  
Alexander P. Lyubartsev ◽  
Pavel N. Vorontsov-Velyaminov
Keyword(s):  
Polymer Chains ◽  
Ring Polymer ◽  
Entropic Sampling

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

Entropy ◽  
2021 ◽  
Vol 23 (2) ◽  
pp. 242
Author(s):  
Joanna Halun ◽  
Pawel Karbowniczek ◽  
Piotr Kuterba ◽  
Zoriana Danel
Keyword(s):  
Star Polymers ◽  
Polymer Chains ◽  
The Other ◽  
Nano Particles ◽  
Dilute Solution ◽  
Confined Geometries ◽  
Density Profiles ◽  
Ideal Ring ◽  
Ring Polymer ◽  
Monomer Density

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.

Elastic behavior of ring polymer chains

2004 ◽  
Vol 43 (2) ◽  
pp. 223-232 ◽  
Author(s):  
Yu Shen ◽  
Linxi Zhang
Keyword(s):  
Polymer Chains ◽  
Elastic Behavior ◽  
Ring Polymer

scholarly journals Compression and Stretching of Confined Linear and Ring Polymers by Applying Force

Polymers ◽  
2021 ◽  
Vol 13 (23) ◽  
pp. 4193
Author(s):  
Wenduo Chen ◽  
Xiangxin Kong ◽  
Qianqian Wei ◽  
Huaiyu Chen ◽  
Jiayin Liu ◽  
...  
Keyword(s):  
Polymer Chains ◽  
Compression Process ◽  
Confined Polymers ◽  
Buckling Instability ◽  
Critical Buckling Force ◽  
Ring Polymers ◽  
Ring Polymer ◽  
Folded Structures ◽  
Two Sides ◽  
Strong Confinement

We use Langevin dynamics to study the deformations of linear and ring polymers in different confinements by applying compression and stretching forces on their two sides. Our results show that the compression deformations are the results of an interplay among of polymer rigidity, degree of confinement, and force applied. When the applied force is beyond the threshold required for the buckling transition, the semiflexible chain under the strong confinement firstly buckles; then comes helical deformation. However, under the same force loading, the semiflexible chain under the weaker confinement exhibits buckling instability and shrinks from the folded ends/sides until it becomes three-folded structures. This happens because the strong confinement not only strongly reduces the buckling wavelength, but also increases the critical buckling force threshold. For the weakly confined polymers, in compression process, the flexible linear polymer collapses into condensed states under a small external force, whereas the ring polymer only shows slight shrinkage, due to the excluded volume interactions of two strands in the crowded states. These results are essential for understanding the deformations of the ring biomacromolecules and polymer chains in mechanical compression or driven transport.

Statics and dynamics of adsorbed ring polymer chains

2000 ◽  
Vol 36 (4) ◽  
pp. 847-850 ◽  
Author(s):  
Linxi Zhang ◽  
Agen Xia ◽  
Yun Xu
Keyword(s):  
Polymer Chains ◽  
Statics And Dynamics ◽  
Ring Polymer

Relaxation processes and mechanical responses of ring hard-sphere polymers

2018 ◽  
Vol 32 (23) ◽  
pp. 1850266 ◽  
Author(s):  
Zhong-Hao Tu ◽  
Ji-Xuan Hou
Keyword(s):  
Hard Sphere ◽  
Dynamic Properties ◽  
Polymer Chains ◽  
Monte Carlo Algorithm ◽  
Relaxation Processes ◽  
Hard Sphere Model ◽  
Mechanical Responses ◽  
Ring Polymers ◽  
Ring Polymer ◽  
Time Required

A hard-sphere model strictly guaranteeing the uncrossability of polymer chains is used to simulate the relaxation process of the linear and ring polymers. The statistical and dynamic properties of both linear and ring chains are obtained by using Monte Carlo algorithm. We find that the relaxation time of a self-avoiding ring polymer is smaller than the time required for the polymer to move a distance of order of its own size. Moreover, the stretching properties of linear and ring polymers are also studied, and the results show that the elongation curve of a ring polymer is almost identical to that of a linear polymer except under the situation of small external force.

Shape of Confined Polymer Chains

1997 ◽  
Vol 7 (3) ◽  
pp. 433-447 ◽  
Author(s):  
C. E. Cordeiro ◽  
M. Molisana ◽  
D. Thirumalai
Keyword(s):  
Polymer Chains ◽  
Confined Polymer ◽  
Confined Polymer Chains

Dynamics of polymer chains trapped in a slit

1977 ◽  
Vol 38 (10) ◽  
pp. 1285-1291 ◽  
Author(s):  
F. Brochard
Keyword(s):  
Polymer Chains
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