2010
DOI: 10.1021/ma902212s
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Branched Polymers under Shear

Abstract: By employing a multiscale simulational approach that combines multiparticle-collision dynamics for the solvent with standard molecular dynamics for the monomers, we examine the behavior of dendritic macromolecules under shear. We analyze quantitatively the shape and anisotropy of the molecules and its dependence on the shear rate, the molecular generation, and the stiffness of the bonds. The role of hydrodynamics is brought forward by comparing our results with those obtained in the absence of coupling between… Show more

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Cited by 39 publications
(39 citation statements)
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“…Increased flow resistance at high frequency could be caused by flow instabilities and turbulences 38. While the angular frequency increases over time, the macromolecules interact and recoil more and more, and as a consequence the viscosity of the solution increases again 13, 21, 38, 39…”
Section: Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…Increased flow resistance at high frequency could be caused by flow instabilities and turbulences 38. While the angular frequency increases over time, the macromolecules interact and recoil more and more, and as a consequence the viscosity of the solution increases again 13, 21, 38, 39…”
Section: Resultsmentioning
confidence: 99%
“…Due to the ability of preparing brushes with a wide range of molecular characteristics, and with well‐defined compositions, architecture and functionality, these materials demonstrate the potential utility of macromolecular engineering for preparing new advanced materials 8. It is therefore important to understand the fundamental structure–property relationships inherent to molecular brushes 10, 13–16…”
Section: Introductionmentioning
confidence: 99%
“…[38][39][40][41][42][43] The ring polymer chains consist of N beads of mass M each. [38][39][40][41][42][43] The ring polymer chains consist of N beads of mass M each.…”
Section: Model and Simulation Methodsmentioning
confidence: 99%
“…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%