To understand the dynamical and conformational properties of deformable active agents in porous media, we computationally investigate the dynamics of linear chains and rings made of active Brownian monomers. In porous media, flexible linear chains and rings always migrate smoothly and undergo activity-induced swelling. However, semiflexible linear chains though navigate smoothly, shrink at lower activities, followed by swelling at higher activities, while semiflexible rings exhibit a contrasting behavior. Semiflexible rings shrink, get trapped at lower activities, and escape at higher activities. This demonstrates how activity and topology interplay and control the structure and dynamics of linear chains and rings in porous media. We envision that our study will shed light on understanding the mode of transport of shape-changing active agents in porous media.
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3 July 2023
Research Article|
July 05 2023
Active dynamics of linear chains and rings in porous media
Ligesh Theeyancheri
;
Ligesh Theeyancheri
(Data curation, Formal analysis, Methodology, Software, Writing – original draft, Writing – review & editing)
1
Department of Chemistry, Indian Institute of Technology Bombay
, Mumbai 400076, India
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Subhasish Chaki
;
Subhasish Chaki
(Formal analysis, Writing – original draft, Writing – review & editing)
1
Department of Chemistry, Indian Institute of Technology Bombay
, Mumbai 400076, India
2
Department of Materials Science and Engineering, University of Illinois Urbana-Champaign
, Urbana, Illinois 61801, USA
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Tapomoy Bhattacharjee
;
Tapomoy Bhattacharjee
a)
(Conceptualization, Supervision, Writing – original draft, Writing – review & editing)
3
National Centre for Biological Sciences, Tata Institute of Fundamental Research
, Bangalore 560065, India
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Rajarshi Chakrabarti
Rajarshi Chakrabarti
a)
(Conceptualization, Supervision, Writing – review & editing)
1
Department of Chemistry, Indian Institute of Technology Bombay
, Mumbai 400076, India
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J. Chem. Phys. 159, 014902 (2023)
Article history
Received:
March 02 2023
Accepted:
June 09 2023
Citation
Ligesh Theeyancheri, Subhasish Chaki, Tapomoy Bhattacharjee, Rajarshi Chakrabarti; Active dynamics of linear chains and rings in porous media. J. Chem. Phys. 7 July 2023; 159 (1): 014902. https://doi.org/10.1063/5.0148744
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