Local coil–helix transition of semiflexible polymers confined in spheres

Yang, Zhiyong; Zhang, Dong; Zhang, Linxi; Chen, Hongping; Ateeq-ur-Rehman,; Liang, Haojun

doi:10.1039/c1sm05523b

Cited by 30 publications

(26 citation statements)

References 46 publications

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“…This phenomenon results in an attractive "depletion" force between the large rings and wall. This entropic depletion effect drives the separation between the binary SRPs of different sizes [69,70].…”

Section: Comparison With Mixtures Of Semiflexible Linear and Ring Polmentioning

confidence: 99%

Entropy-Induced Separation of Binary Semiflexible Ring Polymer Mixtures in Spherical Confinement

Zhou¹,

Guo²,

Li³

et al. 2019

Polymers

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Coarse-grained molecular dynamics simulations are used to investigate the conformations of binary semiflexible ring polymers (SRPs) of two different lengths confined in a hard sphere. Segregated structures of SRPs in binary mixtures are strongly dependent upon the number density of system (ρ), the bending energy of long SRPs (Kb, long), and the chain length ratio of long to short SRPs (α). With a low ρ or a weak Kb, long at a small ratio α, long SRPs are immersed randomly in the matrix of short SRPs. As ρ and bending energy of long SRPs (Kb, long) are increased up to a certain value for a large ratio α, a nearly complete segregation between long and short SRPs is observed, which can be further characterized by the ratio of tangential and radial components of long SRPs velocity. These explicit segregated structures of the two components in spherical confinement are induced by a delicate competition between the entropic excluded volume (depletion) effects and bending contributions.

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Section: Comparison With Mixtures Of Semiflexible Linear and Ring Polmentioning

confidence: 99%

Entropy-Induced Separation of Binary Semiflexible Ring Polymer Mixtures in Spherical Confinement

Zhou¹,

Guo²,

Li³

et al. 2019

Polymers

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“…D i is the distance of i th monomer to surface. Then, the adsorption process is simulated via DMC simulations [ 35 ]. DMC simulations are performed according to the Metropolis algorithm.…”

Section: Methodsmentioning

confidence: 99%

Effect of polymer rigidity on the phase behaviour of polymer adsorption on to planar surface

et al. 2016

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We study the process of a semiflexible polymer chain adsorption on to planar surface by the dynamic Monte Carlo (DMC) method, based on the 3D off-lattice model. Both the strength of attractive monomer–surface interaction (εa) and bending energy (b) have pronounced effect on the adsorption and shape of semiflexible polymer chain. The semiflexible polymer can just fully adsorb on to the surface at certain εa, which is defined as critical εa. The essential features of the semiflexible polymer adsorption on to surface are that (i) the critical εa increases with increase in b; (ii) the shape of the fully adsorbed semiflexible polymer chain is film-like toroid, and the toroid becomes more and more perfect with increase in b. In addition, the size of toroid and the number of turns of toroid can be controlled by the b and εa.

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“…The energy parameter σ pn is set to 1.0. All results presented here are obtained by DMC simulations [28]. DMC simulations are performed according to the Metropolis algorithm.…”

Section: Model and Methodsmentioning

confidence: 99%

Ordered Toroid Structures of Nanoparticles in Self-attractive Semiflexible Polymer/Nanoparticle Composites

Yang

Chai

et al. 2016

Chinese Journal of Chemical Physics

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By employing dynamic Monte Carlo simulations, we investigate a coil-to-toroid transition of self-attractive semiflexible polymers and the spatial distributions of nanoparticles in selfattractive semiflexible polymer/nanoparticle composites. The conformation of self-attractive semiflexible polymers depends on bending energy and self-attractive interactions between monomers in polymer chains. A three-stage process of toroid formation for self-attractive semiflexible chains is shown: several isolated toroids, a loose toroid structure, and a compact toroid structure. Utilizing the compact toroid conformations of self-attractive semiflexible chains, we can control effectively the spatial distributions of nanoparticles in self-attractive semiflexible polymer nanocomposites, and an unconventional toroid structure of nanoparticles is observed.

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Local coil–helix transition of semiflexible polymers confined in spheres

Cited by 30 publications

References 46 publications

Entropy-Induced Separation of Binary Semiflexible Ring Polymer Mixtures in Spherical Confinement

Entropy-Induced Separation of Binary Semiflexible Ring Polymer Mixtures in Spherical Confinement

Effect of polymer rigidity on the phase behaviour of polymer adsorption on to planar surface

Ordered Toroid Structures of Nanoparticles in Self-attractive Semiflexible Polymer/Nanoparticle Composites

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