Transport of a comb-like polymer across a nanochannel subject to a pulling force

We investigate the dynamics of comb-like polymer translocation through a nanochannel using three-dimensional Langevin dynamics simulations based on a coarse-grained chain model. A comprehensive set of simulations are performed to examine the effects of system parameters such as the grafting density<i>ρ</i>of the side chains, the polymer chain length, the nanochannel dimensions, and the magnitude of the pulling force on the translocation dynamics. For a given polymer chain length, keeping the backbone length is constant while varying<i>ρ</i>, we have found that the dependence of the mean translocation time⟨τ⟩on<i>ρ</i>is non-monotonic, with a maximum translocation time for a specific<i>ρ</i>at which the translocation is the slowest. The simulation results also show that⟨τ⟩is not significantly affected by the channel width above a certain radius, while the comb-like polymer translocation is hindered by a narrower channel due to increased interactions between the chain monomers and the channel. In addition,⟨τ⟩increases linearly with the nanochannel length. A linear scaling relationship between the mean translocation time⟨τ⟩and the chain length<i>N</i>of polymer is obtained,⟨τ⟩∼N. Similarly, the dependence of⟨τ⟩on the backbone chain sizeNbbhas a quasi-linear dependence,⟨τ⟩∼Nbb. On the other hand, the translocation velocity<i>v</i>follows a power-law relationship with the polymer chain length<i>N</i>asv∼N-1. The mean translocation time also shows an inverse linear relationship with the magnitude of the pulling force<i>F</i>,⟨τ⟩∼F-1. The power-law relationships discovered in this study contribute to the fundamental understanding of the comb polymer translocation dynamics and to establishing a framework for further investigations in this field.

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Journal
Journal of Physics Condensed Matter
Published
2024-09-23
DOI
https://doi.org/10.1088/1361-648x/ad7e70
Primary Topic
Nanopore and Nanochannel Transport Studies
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article
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article

Transport of a comb-like polymer across a nanochannel subject to a pulling force

Yergou B. Tatek, Mesay Tilahun Abebe, Meseret Adane Tegbaru
1 links
Journal of Physics Condensed Matter
Nanopore and Nanochannel Transport Studies
article

Transport of a comb-like polymer across a nanochannel subject to a pulling force

Yergou B. Tatek, Mesay Tilahun Abebe, Meseret Adane Tegbaru
article en

Abstract

We investigate the dynamics of comb-like polymer translocation through a nanochannel using three-dimensional Langevin dynamics simulations based on a coarse-grained chain model. A comprehensive set of simulations are performed to examine the effects of system parameters such as the grafting density<i>ρ</i>of the side chains, the polymer chain length, the nanochannel dimensions, and the magnitude of the pulling force on the translocation dynamics. For a given polymer chain length, keeping the backbone length is constant while varying<i>ρ</i>, we have found that the dependence of the mean translocation time⟨τ⟩on<i>ρ</i>is non-monotonic, with a maximum translocation time for a specific<i>ρ</i>at which the translocation is the slowest. The simulation results also show that⟨τ⟩is not significantly affected by the channel width above a certain radius, while the comb-like polymer translocation is hindered by a narrower channel due to increased interactions between the chain monomers and the channel. In addition,⟨τ⟩increases linearly with the nanochannel length. A linear scaling relationship between the mean translocation time⟨τ⟩and the chain length<i>N</i>of polymer is obtained,⟨τ⟩∼N. Similarly, the dependence of⟨τ⟩on the backbone chain sizeNbbhas a quasi-linear dependence,⟨τ⟩∼Nbb. On the other hand, the translocation velocity<i>v</i>follows a power-law relationship with the polymer chain length<i>N</i>asv∼N-1. The mean translocation time also shows an inverse linear relationship with the magnitude of the pulling force<i>F</i>,⟨τ⟩∼F-1. The power-law relationships discovered in this study contribute to the fundamental understanding of the comb polymer translocation dynamics and to establishing a framework for further investigations in this field.

Journal of Physics Condensed MatterVol. 36(50)
Addis Ababa Science and Technology University (ET), Addis Ababa University (ET), Debre Markos University (ET)
Openalex Percentile: Top 86%
Nanopore and Nanochannel Transport Studies
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Transport of a comb-like polymer across a nanochannel subject to a pulling force — Yergou B. Tatek, Mesay Tilahun Abebe, et al. · Journal of Physics Condensed Matter (2024) | TGRS Research Map | TGRS