Universal dynamics of dilute and semidilute solutions of flexible linear polymers

JR Prakash - Current opinion in colloid & interface science, 2019 - Elsevier
Experimental observations and computer simulations have recently revealed universal
aspects of polymer solution behaviour that were previously unknown. This progress has …

Equilibrium dynamics and shear rheology of semiflexible polymers in solution

A Nikoubashman, MP Howard - Macromolecules, 2017 - ACS Publications
We study the structure and dynamics of semidilute solutions of semiflexible polymers at rest
and under shear using hybrid molecular dynamics simulations that take hydrodynamic …

Chain rotational dynamics in dilute polymer solutions and melts under shear flow

SH Jeong, S Cho, C Baig - Polymer, 2023 - Elsevier
We present detailed scaling characteristics of the chain rotation dynamics in shear flow for
melt and dilute linear polymer systems using extensive atomistic and coarse-grained …

Fraenkel springs as an efficient approximation to rods for Brownian dynamics simulations and modeling of polymer chains

P Kumar, I Saha Dalal - Macromolecular Theory and …, 2022 - Wiley Online Library
Recent studies indicate the importance of using bead‐rod models for polymer chains,
resolving to a single Kuhn step, especially in strong flows. Earlier, researchers suggested …

Effectiveness of DPD Simulations to Predict the Dynamics of Polymer Chains in Solutions at Equilibrium and Steady Shear Flows

P Kumar, S Jana, H Shyam… - … Theory and Simulations, 2023 - Wiley Online Library
The suitability of dissipative particle dynamics simulations is investigated to predict the
dynamics of polymer chains in dilute polymer solutions. The authors find that the predictions …

Dilute polymer solutions under shear flow: Comprehensive qualitative analysis using a bead-spring chain model with a FENE-Fraenkel spring

I Pincus, A Rodger, J Ravi Prakash - Journal of Rheology, 2023 - pubs.aip.org
Although the nonequilibrium behavior of polymer solutions is generally well understood,
particularly in extensional flow, there remain several unanswered questions for dilute …

Effects of chain resolution on the configurational and rheological predictions from Brownian dynamics simulations of an isolated polymer chain in flow

P Kumar, IS Dalal - Journal of Non-Newtonian Fluid Mechanics, 2023 - Elsevier
A reasonably accurate representation of a polymer chain is provided by beads connected
with rods, or stiff, inextensible springs that mimic a single Kuhn step. Due to high …

Brownian dynamics simulations of bottlebrush polymers in dilute solution under simple shear and uniaxial extensional flows

S Dutta, CE Sing - The Journal of Chemical Physics, 2024 - pubs.aip.org
We study the dynamics of bottlebrush polymer molecules in dilute solutions subjected to
shear and uniaxial extensional flows using Brownian dynamics simulations with …

Effects of excluded volume and hydrodynamic interaction on the deformation, orientation and motion of ring polymers in shear flow

W Chen, H Zhao, L Liu, J Chen, Y Li, L An - Soft Matter, 2015 - pubs.rsc.org
A ring polymer is a classical model to explore the behaviors of biomacromolecules.
Compared with its linear counterpart in shear flow, the ring polymer should be more …

Computationally efficient algorithms for Brownian dynamics simulation of long flexible macromolecules modeled as bead-rod chains

MM Moghani, B Khomami - Physical Review Fluids, 2017 - APS
The computational efficiency of Brownian dynamics (BD) simulation of the constrained
model of a polymeric chain (bead-rod) with n beads and in the presence of hydrodynamic …