We consider an inextensible, semiflexible polymer or wormlike chain, with persistence length P and contour length L, fluctuating in a cylindrical channel of diameter D. In the regime D<
occupied by the polymer and the mean-square deviation from the average vary as
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http://dx.doi.org/10.1103/PhysRevE.82.041801 | DOI Listing |
J Chem Phys
December 2024
Department of Physics, Pohang University of Science and Technology (POSTECH), Pohang 37673, Republic of Korea.
In this study, we present a comprehensive analysis of the motion of a tagged monomer within a Gaussian semiflexible polymer model. We carefully derived the generalized Langevin equation (GLE) that governs the motion of a tagged central monomer. This derivation involves integrating out all the other degrees of freedom within the polymer chain, thereby yielding an effective description of the viscoelastic motion of the tagged monomer.
View Article and Find Full Text PDFJ Am Chem Soc
December 2024
Department of Chemistry at Brown University, 324 Brook Street, Providence, Rhode Island 02912, United States.
Biomacromolecular networks with multiscale fibrillar structures are characterized by exceptional mechanical properties, making them attractive architectures for synthetic materials. However, there is a dearth of synthetic polymeric building blocks capable of forming similarly structured networks. Bottlebrush polymers (BBPs) are anisotropic graft polymers with the potential to mimic and replace biomacromolecules such as tropocollagen for the fabrication of synthetic fibrillar networks; however, a longstanding limitation of BBPs has been the lack of rigidity necessary to access the lyotropic ordering that underpins the formation of collagenous networks.
View Article and Find Full Text PDFJ Chem Phys
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.
View Article and Find Full Text PDFJ Phys Chem B
December 2024
Department of Chemical and Biomolecular Engineering, University of Houston, Houston, Texas 77204, United States.
We use hybrid molecular dynamics-multiparticle collision dynamics (MD-MPCD) simulations to investigate the influence of chain stiffness on the transport of nanoparticles (NPs) through solutions of semiflexible ring polymers. The NPs exhibit subdiffusive dynamics on short time scales before transitioning to normal diffusion at longer times. The terminal NP diffusivity decreases with increasing ring stiffness, similar to the behavior observed in solutions of semiflexible linear chains.
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