Entropic Repulsion and Local Order in Doubly Tethered Polymers on a Surface

Abstract The behavior of (athermal) mobile doubly tethered polymers (ring‐like in 3D) is investigated, on a 2D substrate using the bond fluctuation model. The end‐monomers can move laterally within a constrained distance range. Conformational properties of loop polymers are analyzed and specifically the ordering of the 2D system of end‐monomers. For this, the director is considered between the end‐monomers for local ordering. As tethering density increases, a transition from mushroom‐like conformations to nearly upright structures is observed, as is the case for linear grafted polymers. The effects of loop repulsion are explored, i.e., entropic repulsion, and tethering density on the order parameter and orientational correlations of the directors in 2D. Despite the lack of a global phase transition, local orientational order emerges in 2D due to loop interactions in 3D.

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Publication Details

Journal
Macromolecular Theory and Simulations
Published
2025-02-20
DOI
https://doi.org/10.1002/mats.202400077
Primary Topic
Polymer Surface Interaction Studies
Type
article
Field-Weighted Citation Impact
0.00

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article

Entropic Repulsion and Local Order in Doubly Tethered Polymers on a Surface

Dieter W. Heermann, Min Cheol Chu
Macromolecular Theory and Simulations
Polymer Surface Interaction Studies
article

Entropic Repulsion and Local Order in Doubly Tethered Polymers on a Surface

Dieter W. Heermann, Min Cheol Chu
article en

Abstract

Abstract The behavior of (athermal) mobile doubly tethered polymers (ring‐like in 3D) is investigated, on a 2D substrate using the bond fluctuation model. The end‐monomers can move laterally within a constrained distance range. Conformational properties of loop polymers are analyzed and specifically the ordering of the 2D system of end‐monomers. For this, the director is considered between the end‐monomers for local ordering. As tethering density increases, a transition from mushroom‐like conformations to nearly upright structures is observed, as is the case for linear grafted polymers. The effects of loop repulsion are explored, i.e., entropic repulsion, and tethering density on the order parameter and orientational correlations of the directors in 2D. Despite the lack of a global phase transition, local orientational order emerges in 2D due to loop interactions in 3D.

Macromolecular Theory and SimulationsVol. 34(3)
Heidelberg University (DE), Heidelberg Institute for Theoretical Studies (DE)
China Scholarship Council
Openalex Percentile: Top 97%
Polymer Surface Interaction Studies
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