Grafted Polymer Chains Interacting with Substrates: Computer Simulations and Scaling

Descas, Radu; Sommer, Jens‐Uwe; Blumen, A.

doi:10.1002/mats.200800046

Cited by 55 publications

(75 citation statements)

References 78 publications

(312 reference statements)

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“…One of the first theoretical works devoted to that problem were the publications by Alexander and de Gennes [13,14]. However, the references to numerous more recent works can be found in the review article of Descas et al [46] and in the PhD thesis by Chremos [47]. We know that in a good solvent, for not too high surface densities of tethered chains and when the free segments (i.e.…”

Section: Introductionmentioning

confidence: 99%

Changes in the structure of tethered chain molecules as predicted by density functional approach

Borówko¹,

Patrykiejew²,

Pizio³

et al. 2011

Condens. Matter Phys.

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We use a version of the density functional theory to study the changes in the height of the tethered layer of chains built of jointed spherical segments with the change of the length and surface density of chains. For the model in which the interactions between segments and solvent molecules are the same as between solvent molecules we have discovered two effects that have not been observed in previous studies. Under certain conditions and for low surface concentrations of the chains, the height of the pinned layer may attain a minimum. Moreover, for some systems we observe that when the temperature increases, the height of the layer of chains may decrease.

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Section: Introductionmentioning

confidence: 99%

Changes in the structure of tethered chain molecules as predicted by density functional approach

Borówko¹,

Patrykiejew²,

Pizio³

et al. 2011

Condens. Matter Phys.

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“…This choice together with elastic coupling between wall atoms prevents polymers or solvent molecules from penetrating into the wall. Also, the interaction between the polymers and wall is made repulsive, because attractive interactions can shift  c to higher values [59], in which case we would need longer or more polymers. The density profiles of brushes on curved surfaces can deviate from those on flat surfaces [60].…”

Section: Model and Methodsmentioning

confidence: 99%

On the friction and adhesion hysteresis between polymer brushes attached to curved surfaces: Rate and solvation effects

2015

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Abstract:Computer simulations of friction between polymer brushes are usually simplified compared to real systems in terms of solvents and geometry. In most simulations, the solvent is only implicit with infinite compressibility and zero inertia. In addition, the model geometries are parallel walls rather than curved or rough as in reality. In this work, we study the effects of these approximations and more generally the relevance of solvation on dissipation in polymer-brush systems by comparing simulations based on different solvation schemes. We find that the rate dependence of the energy loss during the collision of brush-bearing asperities can be different for explicit and implicit solvent. Moreover, the non-Newtonian rate dependences differ noticeably between normal and transverse motion, i.e., between head-on and off-center asperity collisions. Lastly, when the two opposing brushes are made immiscible, the friction is dramatically reduced compared to an undersaturated miscible polymer-brush system, irrespective of the sliding direction.

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“…10,11 Many efforts have been made to reveal and understand the equilibrium properties of polymer brush. [12][13][14][15][16] In good solvent and for the grafting density high above the overlap value, the excluded-volume interaction between monomers stretches the chains in the direction perpendicular to the surface. In contrast to the sub-linear scaling of the end-to-end distance e R with chain length N ( e R N ν ∝ with Flory exponent 0.588 ν ≈ ) for a free polymer in solution, 17 a linear scaling of brush height h with chain length N ( h N ∝ ) is predicted for polymer brush.…”

Section: Introductionmentioning

confidence: 99%

Brush in the bath of active particles: Anomalous stretching of chains and distribution of particles

Zhang

et al. 2015

The Journal of Chemical Physics

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The interaction between polymer brush and colloidal particles has been intensively studied in the last two decades. Here we consider a flat chain-grafted substrate immersed in a bath of active particles. Simulations show that an increase in the self-propelling force causes an increase in the number of particles that penetrate into the brush. Anomalously, the particle density inside the main body of the brush eventually becomes higher than that outside the brush at very large selfpropelling force. The grafted chains are further stretched due to the steric repulsion from the intruded particles. Upon the increase of the self-propelling force, distinct stretching behaviors of chains were observed for low and high grafting densities. Surprisingly, we found a weak descent of the end-to-end distance of chains for high grafting density and very large force which is reminiscent of the compression effect of a chain in the active bath.

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Grafted Polymer Chains Interacting with Substrates: Computer Simulations and Scaling

Cited by 55 publications

References 78 publications

Changes in the structure of tethered chain molecules as predicted by density functional approach

Changes in the structure of tethered chain molecules as predicted by density functional approach

On the friction and adhesion hysteresis between polymer brushes attached to curved surfaces: Rate and solvation effects

Brush in the bath of active particles: Anomalous stretching of chains and distribution of particles

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