Dilute solutions of linear polymer chains with tangentially active monomeric beads are simulated using a Brownian dynamics (BD) algorithm over a range of solvent quality in the thermal crossover regime between $\theta$ and athermal solvents. The conformational changes with increasing P{\'e}clet number ($Pe$) (which is proportional to the strength of activity) suggest deswelling of the chains resulting in a collapse of the radius of gyration data to a random walk (RW) statistics at a unique value of $Pe$, independent of the solvent quality. The swelling behaviour of active polymers in the crossover regime relative to their size at the $\theta$ state is found to follow the same universal characteristics as that of passive polymer chains. Furthermore, based on polymer blob theory we present a novel scaling of the thermal blob size with tangential activity of the monomeric beads which leads to the definition of a renormalized solvent quality parameter for active polymers. Altogether, this work establishes a connection between the configurational properties of active polymers and scaling laws in polymer physics, which provides a useful framework to study the dynamics of activity induced motion of polymeric molecules for various applications in biophysics and other related areas.
We report a study of the emergent dynamics arising in two-dimensional suspensions of semi-flexible chains whose tip is chemically active, generating a phoretic field. By varying the chain length (number of monomers per chain $N_{pc}$), the area fraction $\phi$, and the sign of the phoretic coupling $J_0$, we map out a...
We investigate the structure and dynamics of a polymer in a fluid containing mobile spherical colloidal crowders of radius R. We compare and contrast the behavior with Langevin dynamics (LD) and lattice Boltzmann molecular dynamics (LBMD), the latter incorporating long-range hydrodynamic interactions. Both the colloid...
Setarehalsadat Changizrezaei, C. Denniston· Journal of Chemical Physics· 1 citation
The problem of single-chain conformations of polyelectrolytes in salt-added dilute solutions, and the associated concept of the electrostatic persistence length $\textbf{l}_\mathrm{e}$, has remained unresolved for decades. To address this challenge, we develop a comprehensive scaling theory and corroborate it with simu...
Artem M. Rumyantsev, Alexey A. Gavrilov, A. Johner· 1 citation
The equilibrium shear modulus of some swollen polymer networks decreases with increasing temperature, even when the corresponding dry network shows the classical positive temperature coefficient of entropic elasticity. This sign reversal cannot be explained by the conventional Frenkel-Flory-Rehner framework, in which t...
Cheng-Cheng Deng, Zhantao Zou, Wei-Xiang Sun et al.· Soft Matter· 0 citations
Polymer grafting affects chain relaxation dynamics in ways that can strongly influence the physical properties of polymer nanocomposites and surface layers. Here, we performed energy-conserving dissipative particle dynamics (eDPD) simulations with proper orthogonal decomposition (POD) to investigate the dominant rela...
Ankit Saha, Michael J. A. Hore· ACS Macro Letters· 0 citations
Polymer chains diffuse 100 times slower than small molecules, taking from a few days to several months to reach the equilibrium of phase separation. Using methods for small molecules to map the phase diagrams of polymer solutions is painfully time-consuming. This is why different theoretical conjectures had not been va...
Xiaodong Ye, Xiangjun Gong, Chi Wu· Journal of Chemical Physics· 0 citations
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