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Mechanisms of Flow-Induced Polymer Translocation

Wang, Zhenhua and Wang, Ruishu and Lu, Yuyuan and An, Lijia and Shi, An-Chang and Wang, Zhen-Gang (2022) Mechanisms of Flow-Induced Polymer Translocation. Macromolecules, 55 (9). pp. 3602-3612. ISSN 0024-9297. doi:10.1021/acs.macromol.2c00288. https://resolver.caltech.edu/CaltechAUTHORS:20220520-388263000

[img] PDF (Polymer size and relaxation time, the relationship between flux and acceleration, monomer distribution outside the channel before translocation, number of monomers contained in each blob) - Supplemental Material
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[img] Video (MPEG) (Movie S1: capture process of a linear chain) - Supplemental Material
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[img] Video (MPEG) (Movie S2: translocation of a ring chain) - Supplemental Material
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[img] Video (MPEG) (Movie S3: end translocation of a linear chain) - Supplemental Material
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[img] Video (MPEG) (Movie S4: fold translocation of a linear chain) - Supplemental Material
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Abstract

Flow-induced translocation of linear and ring polymers is studied by using a combination of multiparticle collision dynamics and molecular dynamics. The results show that both end capture and fold capture are present in the capture process of linear chains in weak flows, whereas fold capture becomes dominant in strong flows, resulting in similar behavior for the linear and ring chains in the strong flow regime. For narrow channels, the critical flux decreases with the increase of channel size, which is qualitatively consistent with the prediction by Wu et al.; for large channel sizes (which are still smaller than the polymer size), the critical flux is independent of channel size, in agreement with an earlier prediction by de Gennes et al. The presence of these two scaling regimes indicates that the confined blob exhibits a crossover from free draining to nondraining as the channel size increases. Moreover, we found that the conformation of the polymer exhibits a flow-induced coil–compact–stretch transition, and the transition does not appear to be first order. In addition, we observed that the monomers far from the channel and in the channel exhibit independent dynamics.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://doi.org/10.1021/acs.macromol.2c00288DOIArticle
ORCID:
AuthorORCID
Wang, Zhenhua0000-0002-6878-6279
Lu, Yuyuan0000-0002-4073-678X
Shi, An-Chang0000-0003-1379-7162
Wang, Zhen-Gang0000-0002-3361-6114
Additional Information:© 2022 American Chemical Society. Received 11 February 2022. Revised 11 April 2022. Published online 27 April 2022. Published in issue 10 May 2022. We thank Professor Lianwei Li (Shenzhen University) for valuable discussions. This work was supported by the Science Challenge Project (Grant TZ2018004), the National Key R&D Program of China (Grant 2020YFA0713601), the National Natural Science Foundation of China (Grants 21790340 and 22073092), and the Key Research Program of Frontier Sciences, CAS (Grant QYZDY-SSW-SLH027). Additional support for Y.L. was provided by the Youth Innovation Promotion Association of CAS (Grant Y202054). The authors declare no competing financial interest.
Funders:
Funding AgencyGrant Number
Science Challenge ProjectTZ2018004
Ministry of Science and Technology (China)2020YFA0713601
National Natural Science Foundation of China21790340
National Natural Science Foundation of China22073092
Chinese Academy of SciencesQYZDY-SSW-SLH027
Chinese Academy of SciencesY202054
Subject Keywords:Conformation, Fluxes, Monomers, Polymer chains, Polymers
Issue or Number:9
DOI:10.1021/acs.macromol.2c00288
Record Number:CaltechAUTHORS:20220520-388263000
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20220520-388263000
Official Citation:Mechanisms of Flow-Induced Polymer Translocation Zhenhua Wang, Ruishu Wang, Yuyuan Lu, Lijia An, An-Chang Shi, and Zhen-Gang Wang Macromolecules 2022 55 (9), 3602-3612 DOI: 10.1021/acs.macromol.2c00288
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:114843
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:20 May 2022 22:25
Last Modified:20 May 2022 22:25

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