Related papers: Chains in critical fluids and nanopores
The interplay of nematic order and phase separation in solutions of semiflexible polymers in solvents of variable quality is investigated by density functional theory (DFT) and molecular dynamics (MD) simulations. We studied coarse-grained…
We investigate the segregation pattern formations of strongly and weakly fluctuated Brownian particle mixtures, which are confined in spherical containers with finite volumes. We consider systems where the container restricts the motions of…
The properties of semidilute polymer solutions are investigated at equilibrium and under shear flow by mesoscale simulations, which combine molecular dynamics simulations and the multiparticle collision dynamics approach. In semidilute…
The biological function of membranes is closely related to their softness, which is often studied through the membranes' thermally-driven fluctuations. The analysis commonly assumes that the relaxation rate of a pure bending deformation is…
A theory is presented for the binding of small molecules such as surfactants to semiflexible polymers. The persistence length is assumed to be large compared to the monomer size but much smaller than the total chain length. Such polymers…
Theoretical considerations based on chain connectivity and conformational variability of polymers have lead to an uncomplicated relation for the dependence of the Flory-Huggins interaction parameter, chi, on the volume fraction of the…
We present simulations on charged polymers in poor solvent. First we investigate in detail the dilute concentration range with and without imposed extension constraints. The resulting necklace polymer conformations are analyzed in detail.…
We conducted molecular dynamics simulations to investigate chain conformations in adsorbed layers during polymer capillary imbibition. While the imbibition length adheres to the classical Lucas-Washburn equation, a notable deviation in…
The non-equilibrium structural and dynamical properties of a semiflexible polymer confined in a cylindrical microchannel and exposed to a Poiseuille flow is studied by mesoscale hydrodynamic simulations. For a polymer with a length half of…
We investigate extensional viscosity and polymer conformation in dilute polymer solutions under uniaxial extensional flow using dissipative particle dynamics simulations. At high extension rates, polymers are significantly stretched by…
We examine pressure-driven non-equilibrium transport of linear, circular and star polymers through a nanochannel containing a rectangular pit with full hydrodynamic interactions and thermal fluctuations. We demonstrate that with…
We study the light scattering properties of random ballistic aggregates constructed in Shen et al. (Paper I). Using the discrete-dipole-approximation, we compute the scattering phase function and linear polarization for random aggregates…
We report a Monte Carlo simulation study of the properties of highly asymmetric binary hard sphere mixtures. This system is treated within an effective fluid approximation in which the large particles interact through a depletion potential…
Molecular Dynamics simulations of a model bilayer made of surfactant dimers in a Lennard-Jones solvent are reported for three sizes of the systems up to an area of $100\sigma \times 100\sigma$ and for a large interval of specific areas:from…
We consider directed semiflexible polymers embedded in a fluctuating surface which is governed by either surface tension or bending rigidity. The attractive interactions induced by the fluctuations of the surface reduce the rigidity of the…
The research is important for a molecular theory of liquid and has a wide interest as an example solving the problem when dynamic parameters of systems can be indirectly connected with their equilibrium properties. In frameworks of the…
Self-assembly in natural and synthetic molecular systems can create complex aggregates or materials whose properties and functionality rises from their internal structure and molecular arrangement. The key microscopic features that control…
The dielectric properties of a bulk dipolar liquid have been subjects of intense interest during the past decades. A surprising result was the discovery of a strong wavenumber dependence in the bulk homogeneous state. Such behaviour seems…
Dynamics of a polymer chain in solution gets significantly affected by the temperature and the frictional forces arising due to solvent viscosity. Here, using an explicit solvent framework for polymer simulation with the liberty to tune the…
We present results from molecular dynamics simulations of a spherically confined neutral polymer in the presence of crowding agents, studying polymer shapes and conformations as a function of the confining potential, solvent quality and the…