Conformations and dynamics of single flexible ring polymers in simple shear flow

Chen, Wenduo; Li, Yunqi; Zhao, Hongchao; Liu, Lijun; Chen, Jizhong; An, Lijia

doi:10.1016/j.polymer.2015.03.034

Cited by 30 publications

(34 citation statements)

References 48 publications

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“…28 We have characterized the dependence of several observables of interest measuring the size, orientation and intrinsic viscosity, on the applied shear rate. The obtained power-laws have characteristic exponents that are clearly different from those found in other architectures (linear chains, rings, stars, dendrimers [28][29][30][31][32][33][34][35][36][37][38] ). Thus, SCNPs constitute a novel class of macromolecules with distinct response to shear.…”

Section: Introductioncontrasting

confidence: 67%

Single-Chain Nanoparticles under Homogeneous Shear Flow

Formanek

Moreno

2019

Macromolecules

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Single-chain nanoparticles (SCNPs) are ultrasoft objects obtained through purely intramolecular cross-linking of single polymer chains. By means of computer simulations with implemented hydrodynamic interactions, we investigate for the first time the effect of the shear flow on the structural and dynamic properties of SCNPs in semidilute solutions. We characterize the dependence of several conformational and dynamic observables on the shear rate and the concentration, obtaining a set of power-law scaling laws. The concentration has a very different effect on the shear rate dependence of the former observables in SCNPs than in simple linear chains. Whereas for the latter the scaling behavior is marginally dependent on the concentration, two clearly different scaling regimes are found for the SCNPs below and above the overlap concentration.At fixed shear rate SCNPs and linear chains also respond very differently to crowding.Whereas, at moderate and high Weissenberg numbers the linear chains swell, the SC-NPs exhibit a complex non-monotonic behavior. These findings are inherently related to the topological interactions preventing concatenation of the SCNP loops, leading to less interpenetration than for linear chains.

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Section: Introductioncontrasting

confidence: 67%

Single-Chain Nanoparticles under Homogeneous Shear Flow

Formanek

Moreno

2019

Macromolecules

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“…In order to deeply understand the effects of EV and HI on the stretching behaviors of ring polymers, the probability distribution functions (PDFs) of the average molecular extension P(G xx ) are presented in Fig. [27][28][29][30] Without self-avoidance, individual ring polymers tend to form a two-strand line rather than an ellipse shape in the flow-gradient plane. For small Wi (Wi o 1), the distribution is practically Gaussian.…”

Section: View Article Onlinementioning

confidence: 99%

“…Therefore, m G is independent of Wi. [27][28][29][30] Moreover, a universal curve is obtained for orientation with and without HI, implying that the orientation behaviors scaled with Wi have no qualitative difference in the presence and absence of HI. With increasing Wi, ring polymers orient with the flow direction and the conformations are strongly deformed.…”

Section: View Article Onlinementioning

confidence: 99%

“…23,24 For ring polymers, the close topology results in higher monomer density, and EV interaction shows a stronger impact. [27][28][29][30] How the EV interaction affects these two motions and the conformation change for ring polymers in shear flow has not been reported yet. [27][28][29][30] How the EV interaction affects these two motions and the conformation change for ring polymers in shear flow has not been reported yet.…”

Section: Introductionmentioning

confidence: 99%

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Effects of excluded volume and hydrodynamic interaction on the deformation, orientation and motion of ring polymers in shear flow

et al. 2015

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A ring polymer is a classical model to explore the behaviors of biomacromolecules. Compared with its linear counterpart in shear flow, the ring polymer should be more sensitive to excluded volume and hydrodynamic interaction attributed to the absence of chain ends. We carried out multiparticle collision dynamics combined with molecular dynamics simulation to study the effects of excluded volume and hydrodynamic interaction on the behaviors of ring polymers in shear flow. The results show that in the absence of the strong excluded volume interaction, the ring polymer prefers a two-strand linear conformation with high deformation and orientation in the flow-gradient plane, and the tank-treading motion is nearly negligible. Ring polymers without excluded volume show no significant difference from linear polymers in the scaling exponents for the deformation, orientation and tumbling motion. We also observed that the hydrodynamic interaction could efficiently slow down the relaxation of ring polymers while the scaling exponents against the Weissenberg number have rarely been affected.

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“…To date there has been a considerable amount of work on the response of flexible polymers with different architectures (e.g., linear, ring, hyperbranched and star polymers) to shear stress, which has revealed generic and specific properties of such systems. On top of experimental techniques, the development of simulation methods allowing to efficiently couple the solvent particles and monomers, a wide spectrum of behaviors has been found regarding the average deformation and the orientation as a function of the shear rate, as well as, multiple dynamic responses [3][4][5][6][7][8]. The latter encompass stretching and recoil, tumbling, tank-treading, rupture, and collapse of polymers and ultimately determine the (complex) viscoelastic response of dilute bulk phases.…”

Section: Introductionmentioning

confidence: 99%

Rotation Dynamics of Star Block Copolymers under Shear Flow

Jaramillo-Cano

Likos

Camargo

2018

Preprint

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Star block-copolymers (SBCs) are macromolecules formed by a number of diblock copolymers anchored to a common central core, being the internal monomers solvophilic and the end monomers solvophobic. Recent studies have demonstrated that SBCs constitute a self-assembling building blocks with specific softness, functionalization, shape, and flexibility. Depending on different physical and chemical parameters the SBCs can behave as flexible patchy particles. In this paper, we study the rotational dynamics of isolated SBCs using a hybrid mesoscale simulation technique. We compare three different approaches to analyse the dynamics: the laboratory frame, the non-inertial Eckart's frame, and a geometrical approximation relating the conformation of the SBC to the velocity profile of the solvent. We find that the geometrical approach is adequate when dealing with very soft systems while in the opposite extreme, the dynamics is best explained using the laboratory frame. On the other hand, the Eckart frame is found to be very general and to reproduced well both extreme cases. We also compare the rotational frequency and the kinetic energy with the definitions of the angular momentum and inertia tensor different from recent publications.

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Conformations and dynamics of single flexible ring polymers in simple shear flow

Cited by 30 publications

References 48 publications

Single-Chain Nanoparticles under Homogeneous Shear Flow

Single-Chain Nanoparticles under Homogeneous Shear Flow

Effects of excluded volume and hydrodynamic interaction on the deformation, orientation and motion of ring polymers in shear flow

Rotation Dynamics of Star Block Copolymers under Shear Flow

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