Related papers: Polydisperse polymer brushes: internal structure, …
We describe two distinct approaches to obtaining cloud point densities and coexistence properties of polydisperse fluid mixtures by Monte Carlo simulation within the grand canonical ensemble. The first method determines the chemical…
Polymer brushes are increasingly used to tailor surface physicochemistry for various applications such as wetting, adhesion of biological objects, implantable devices, etc. We perform Dissipative Particle Dynamics simulations to study the…
Self-diffusion of a polymer chain in a melt is studied by Monte Carlo simulations of the bond fluctuation model, where only the excluded volume interaction is taken into account. Polymer chains, each of which consists of $N$ segments, are…
The formation of interface from an initial sharp interface in polydisperse A/B blends is studied using the external potential dynamic method. The present model is a nonlocal coupling model as we take into account the correlation between…
We consider edge effects in grafted polymer layers under compression. For a semi-infinite brush, the penetration depth of edge effects $\xi\propto h_0(h_0/h)^{1/2}$ is larger than the natural height $h_0$ and the actual height $h$. For a…
We analyze the shear response of grafted polymer chains in shear flow via coarse-grained molecular dynamics simulations. Our simulations confirm that the shear response is dominated by the brush's outermost correlation volume, which depends…
When polydisperse granular systems are sheared, the transverse dynamics is characterized by the interplay of size segregation and diffusion. Segregation in nonuniform and confined shearing flows is studied using annular shear cell…
Local chain structure and local environment play an important role in the dynamics of polymer chains in miscible blends. In general, the friction coefficients that describe the segmental dynamics of the two components in a blend differ from…
Inwardly curved polymer brushes are present in cylindrical and spherical micelles or in membranes tubes and vesicles decorated with anchored polymers, and influence their stability. We consider such polymer brushes in good solvent and show…
Due to their unique structural and mechanical properties, randomly-crosslinked polymer networks play an important role in many different fields, ranging from cellular biology to industrial processes. In order to elucidate how these…
Polymer solutions subject to pressure driven flow and in nanoscale slit pores are systematically investigated using the dissipative particle dynamics approach. We investigated the effect of molecular weight, polymer concentration and flow…
Although it has been established that the multi-chain slip-spring (MCSS) model can reproduce entangled polymer dynamics, the effects of model parameters have not been fully elucidated yet. In this study, we systematically investigated the…
In a system of N particles, with continuous size polydispersity there exists N(N-1) number of partial structure factors making it analytically less tractable. A common practice is to treat the system as an effective one component system…
We study the polydisperse Baxter model of sticky hard spheres (SHS) in the modified Mean Spherical Approximation (mMSA). This closure is known to be the zero-order approximation (C0) of the Percus-Yevick (PY) closure in a density expansion.…
Friction between ring-polymer brushes at melt densities sliding past each other are studied using extensive course-grained molecular dynamics simulations and scaling arguments, and the results are compared to the friction between…
Shear viscosity and wall slip of dense suspensions of a silicone polymer incorporated with polydisperse particles were investigated. Three types of particles with low aspect ratios were used to achieve a relatively high maximum packing…
We consider the growth of a polymer layer on a flat surface in a good solvent by in-situ polymerization. This is viewed as a modified form of diffusion-limited aggregation without branching. We predict theoretically the formation of a…
The application of a polymer brush in sensing, actuation, self-folding, among others acutely depends on the tuneable bending of a brush-grafted substrate caused by the stress in the brush. However, the stress in a stimuli-responsive brush…
The endpoint distribution and dynamics of semiflexible fibers is studied by numerical simulation. A brief overview is given over the analytical theory of flexible and semiflexible polymers. In particular, a closed expression is given for…
An investigation of the effect of surface diffusion in random deposition model is made by analytical methods and reasoning. For any given site, the extent to which a particle can diffuse is decided by the morphology in the immediate…