The intramolecular dynamics of flexible and semiflexible polymers in response to active noise is studied theoretically. The active noise may either originate from interactions of a passive polymer with a bath of active Brownian particles or the polymer itself is comprised of active Brownian particles. We describe the polymer by the continuous Gaussian semiflexible-polymer model, taking into account the finite polymer extensibility. Our analytical calculations predict a strong dependence of the polymer dynamics on the activity. In particular, active semiflexible polymers exhibit a crossover from a bending elasticity-dominated dynamics at weak activity to that of flexible polymers at strong activity. The end-to-end vector correlation function decays exponentially for times longer than the longest polymer relaxation time. Thereby, the polymer relaxation determines the decay of the correlation function for long and flexible polymers. For shorter and stiffer polymers, the relaxation behavior of individual active Brownian particles dominates the decay above a certain activity. The diffusive dynamics of a polymer is substantially enhanced by the activity. Three regimes can be identified in the mean square displacement for sufficiently strong activities: an activity-induced ballistic regime at short times, followed by a Rouse-type polymer-specific regime for any polymer stiffness, and free diffusion at long times, again determined by the activity.
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http://dx.doi.org/10.1063/1.4981012 | DOI Listing |
Soft Matter
January 2025
Department of Chemical & Biomolecular Engineering, University of Houston, Houston, TX 77204, USA.
Microrheology has become an indispensable tool for measuring the dynamics of macromolecular systems. Yet, its ability to characterize polymer dynamics across spatiotemporal scales, which vary among polymers and concentration regimes, is limited by the selection of probe morphologies and sizes. Here, we introduce semiflexible M13 phage as a powerful microrheological probe able to circumvent these constraints to robustly capture the dynamics of polymeric solutions across decades of concentrations, sizes, and ionic conditions.
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December 2024
Department of Physics, Pohang University of Science and Technology (POSTECH), Pohang 37673, Republic of Korea.
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View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry at Brown University, 324 Brook Street, Providence, Rhode Island 02912, United States.
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December 2024
Institute for Theoretical Physics IV, University of Stuttgart, Heisenbergstr. 3, 70569 Stuttgart, Germany.
J Chem Phys
December 2024
Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
In this study, we present a novel orientation discretization approach based on the rhombic triacontahedron for Monte Carlo simulations of semiflexible polymer chains, aiming at enhancing structural analysis through rheo-small-angle scattering (rheo-SAS). Our approach provides a more accurate representation of the geometric features of semiflexible chains under deformation, surpassing the capabilities of traditional lattice structures. Validation against the Kratky-Porod chain system demonstrated superior consistency, underscoring its potential to significantly improve the precision of uncovering geometric details from rheo-SAS data.
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