Materials design of highly branched bottlebrush polymers at the intersection of modeling, synthesis, processing, and characterization
Highly branched “bottlebrush” polymers are a class of macromolecules characterized by
side chains that are densely grafted from a backbone that is typically linear. Their unique …
side chains that are densely grafted from a backbone that is typically linear. Their unique …
Conformation of a comb-like chain free in solution and confined in a nanochannel: from linear to bottlebrush structure
Z Tang, X Pan, H Zhou, L Li, M Ding - Macromolecules, 2022 - ACS Publications
We study the conformation of a comb-like polymer chain in dilute solution from being in a
free state to being confined in a nanochannel by using Brownian dynamics simulations. In …
free state to being confined in a nanochannel by using Brownian dynamics simulations. In …
3D manipulation and dynamics of soft materials in 3D flows
Flow-based manipulation of particles is an essential tool for studying soft materials, but prior
work has nearly exclusively relied on using two-dimensional (2D) flows generated in planar …
work has nearly exclusively relied on using two-dimensional (2D) flows generated in planar …
Conformation of a comb-like chain in solution: effect of backbone rigidity
X Mai, P Hao, D Liu, M Ding - ACS omega, 2023 - ACS Publications
We study the effect of backbone rigidity on the conformation of comb-like chains in dilute
solution by using Brownian dynamics simulations. Our results demonstrate that the …
solution by using Brownian dynamics simulations. Our results demonstrate that the …
[HTML][HTML] Dynamics and rheology of ring-linear blend semidilute solutions in extensional flow. Part I: Modeling and molecular simulations
We use Brownian dynamics (BD) simulations and single molecule experiments to
investigate the influence of topological constraints and hydrodynamic interactions on the …
investigate the influence of topological constraints and hydrodynamic interactions on the …
Conformation of an amphiphilic comb-like copolymer in a selective solvent
P Hao, XH Mai, QY Chen, MM Ding - Chinese Journal of Polymer Science, 2023 - Springer
We study the conformation of an amphiphilic comb-like copolymer in a selective solvent by
using Brownian dynamics simulations. Our results demonstrate that, there is an optimal total …
using Brownian dynamics simulations. Our results demonstrate that, there is an optimal total …
Effect of hydrodynamic interactions and flow on charge transport in redox-active polymer solutions
Redox-active polymers (RAPs) are a subclass of polyelectrolytes that can store charge and
undergo redox self-exchange reactions. RAPs are of great interest in the field of redox flow …
undergo redox self-exchange reactions. RAPs are of great interest in the field of redox flow …
Brownian dynamics simulations of bottlebrush polymers in dilute solution under simple shear and uniaxial extensional flows
We study the dynamics of bottlebrush polymer molecules in dilute solutions subjected to
shear and uniaxial extensional flows using Brownian dynamics simulations with …
shear and uniaxial extensional flows using Brownian dynamics simulations with …
Analysis and estimation of time step sizes and stiffness parameters for efficient simulations of macromolecules with hydrodynamic interactions
SV Krishna, P Kumar, I Saha Dalal - Physics of Fluids, 2024 - pubs.aip.org
Recent studies have shown the importance of using highly resolved models for Brownian
Dynamics (BD) simulations of long macromolecules. For computational efficiency, such …
Dynamics (BD) simulations of long macromolecules. For computational efficiency, such …
[PDF][PDF] 星形梳状聚合物在稀溶液中的链构象
刘丹枫, 唐增贤, 丁明明 - 高分子通报, 2024 - gfztb.com
The conformation of star comb-like polymer chains in dilute solutions was investigated using
Brownian dynamics simulations. The results show that when the grafting density of the star …
Brownian dynamics simulations. The results show that when the grafting density of the star …