A Coarse-Grained Description of Star−Linear Polymer Mixtures

Surface segregation of the low molecular weight component of a polymeric mixture is a ubiquitous phenomenon that leads to degradation of industrial formulations. We report a simultaneous phase separation and surface migration phenomena in oligomer–polymer ( O P ) and oligomer–gel ( O G ) systems following a temperature quench that induces demixing of components. We compute equilibrium and time varying migrant (oligomer) density profiles and wetting layer thickness in these systems using coarse grained molecular dynamics (CGMD) and mesoscale hydrodynamics (MH) simulations. Such multiscale methods quantitatively describe the phenomena over a wide range of length and time scales. We show that surface migration in gel–oligomer systems is significantly reduced on account of network elasticity. Furthermore, the phase separation processes are significantly slowed in gels leading to the modification of the well known Lifshitz–Slyozov–Wagner (LSW) law ℓ ( τ ) ∼ τ 1 / 3 . Our work allows for rational design of polymer/gel–oligomer mixtures with predictable surface segregation characteristics that can be compared against experiments.

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Thermal Jamming in Colloidal Star−Linear Polymer Mixtures

Langmuir ◽

10.1021/la034223p ◽

2003 ◽

Vol 19 (17) ◽

pp. 6645-6649 ◽

Cited By ~ 19

Author(s):

Emmanuel Stiakakis ◽

Dimitris Vlassopoulos ◽

Jacques Roovers

Keyword(s):

Linear Polymer ◽

Polymer Mixtures

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

Polymers ◽

10.3390/polym11121992 ◽

2019 ◽

Vol 11 (12) ◽

pp. 1992 ◽

Cited By ~ 4

Author(s):

Xiaolin Zhou ◽

Fuchen Guo ◽

Ke Li ◽

Linli He ◽

Linxi Zhang

Keyword(s):

Coarse Grained ◽

Number Density ◽

Polymer Mixtures ◽

Bending Energy ◽

Volume Depletion ◽

Small Ratio ◽

The Matrix ◽

Ring Polymers ◽

Ring Polymer ◽

Dynamics Simulations

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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Linear and non-linear dynamics of entangled linear polymer melts by modified tunable coarse-grained level Dissipative Particle Dynamics

The Journal of Chemical Physics ◽

10.1063/1.3615504 ◽

2011 ◽

Vol 135 (4) ◽

pp. 044904 ◽

Cited By ~ 26

Author(s):

Mikio Yamanoi ◽

Oliver Pozo ◽

Joao M. Maia

Keyword(s):

Polymer Melts ◽

Dissipative Particle Dynamics ◽

Particle Dynamics ◽

Linear Polymer ◽

Coarse Grained ◽

Linear Dynamics ◽

Non Linear

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Lattice treatment of thermodynamic properties of ring and linear polymer mixtures

Journal of Polymer Science Part B Polymer Physics ◽

10.1002/polb.1993.090311107 ◽

1993 ◽

Vol 31 (11) ◽

pp. 1495-1502 ◽

Cited By ~ 7

Author(s):

J. Léonard

Keyword(s):

Thermodynamic Properties ◽

Linear Polymer ◽

Polymer Mixtures

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Friction between ring polymer brushes

Soft Matter ◽

10.1039/c4sm02818j ◽

2015 ◽

Vol 11 (16) ◽

pp. 3139-3148 ◽

Cited By ~ 24

Author(s):

Aykut Erbaş ◽

Jarosław Paturej

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Polymer Brushes ◽

Polymer Brush ◽

Linear Polymer ◽

Coarse Grained ◽

Ring Polymer ◽

Dynamics Simulations ◽

Scaling Arguments ◽

Coarse Grained Molecular Dynamics

Friction between ring polymer brush bilayers sliding past each other is studied using extensive coarse-grained molecular dynamics simulations and scaling arguments, and the results are compared to the friction between bilayers of linear polymer brushes.

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