Effect of Patch Size and Attraction Energy on Polymer Chain Adsorption in Slits Created by Opposing Patch‐Patterned Surfaces

ABSTRACT The adsorption behavior of a polymer chain within a slit composed of two patch‐patterned surfaces is investigated using Langevin dynamics simulations. Each surface exhibits periodic attractive square patches (period d , size L , attraction energy ε ps ), with a 0.5 d misalignment between the two surfaces. The adsorption degree increases with L , while the mean number of occupied patches < n pa > and the surface‐parallel component of the mean square radius of gyration < R 2 g,xy > exhibit a complex dependence on L . We identify distinct adsorption regimes: a single‐surface and single‐patch adsorbed state for L > L s , an upper‐lower and multi‐patch adsorbed state for L > L m , and a complete adsorbed state for L > L c . At weak ε ps , the polymer chain adopts single‐surface and single‐patch adsorption for middle L and upper‐lower and multi‐patch adsorption for large L . Conversely, a strong ε ps promotes upper‐lower and multi‐patch adsorption for small L , and single‐surface and single‐patch adsorption as L increases. The adsorption degree increases monotonically to saturate with ε ps , while < n p > initially increases and subsequently decays toward stability. Notably, < R 2 g,xy > first decreases, then increases, and finally decreases to stabilize as ε ps increases. These results highlight the role of patch geometry and interaction strength in governing polymer adsorption behavior.

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Publication Details

Journal
Macromolecular Theory and Simulations
Published
2025-09-08
DOI
https://doi.org/10.1002/mats.202500076
Primary Topic
Polymer Surface Interaction Studies
Type
article
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article

Effect of Patch Size and Attraction Energy on Polymer Chain Adsorption in Slits Created by Opposing Patch‐Patterned Surfaces

H. Clive Liu, Meng‐Bo Luo, Qing‐Hui Yang, Li Shuai
Macromolecular Theory and Simulations
Polymer Surface Interaction Studies
article

Effect of Patch Size and Attraction Energy on Polymer Chain Adsorption in Slits Created by Opposing Patch‐Patterned Surfaces

H. Clive Liu, Meng‐Bo Luo, Qing‐Hui Yang, Li Shuai
article en

Abstract

ABSTRACT The adsorption behavior of a polymer chain within a slit composed of two patch‐patterned surfaces is investigated using Langevin dynamics simulations. Each surface exhibits periodic attractive square patches (period d , size L , attraction energy ε ps ), with a 0.5 d misalignment between the two surfaces. The adsorption degree increases with L , while the mean number of occupied patches < n pa > and the surface‐parallel component of the mean square radius of gyration < R 2 g,xy > exhibit a complex dependence on L . We identify distinct adsorption regimes: a single‐surface and single‐patch adsorbed state for L > L s , an upper‐lower and multi‐patch adsorbed state for L > L m , and a complete adsorbed state for L > L c . At weak ε ps , the polymer chain adopts single‐surface and single‐patch adsorption for middle L and upper‐lower and multi‐patch adsorption for large L . Conversely, a strong ε ps promotes upper‐lower and multi‐patch adsorption for small L , and single‐surface and single‐patch adsorption as L increases. The adsorption degree increases monotonically to saturate with ε ps , while < n p > initially increases and subsequently decays toward stability. Notably, < R 2 g,xy > first decreases, then increases, and finally decreases to stabilize as ε ps increases. These results highlight the role of patch geometry and interaction strength in governing polymer adsorption behavior.

Macromolecular Theory and SimulationsVol. 34(6)
Hangzhou Dianzi University (CN), Zhejiang University (CN)
Openalex Percentile: Top 78%
Polymer Surface Interaction Studies
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Effect of Patch Size and Attraction Energy on Polymer Chain Adsorption in Slits Created by Opposing Patch‐Patterned Surfaces — H. Clive Liu, Meng‐Bo Luo, et al. · Macromolecular Theory and Simulations (2025) | TGRS Research Map | TGRS