Related papers: Two-parameter model predictions and theta-point cr…
We explore semi-dilute and concentrated oligomers and polymers in a broad range of polymerization indices N ranging from 1 to a 100 and in a range of monomer number densities $\phi$ from 0.1 to 0.8 via molecular dynamics simulations and…
We study the thermodynamics of an exactly solvable model of a self-interacting partially directed self-avoiding walk (DSAW) in two dimensions, when a force is applied on one end of the chain. The critical force for the unfolding is…
We provide a Boltzmann-type kinetic description for dilute polymer solutions based on two-fluid theory. This Boltzmann-type description uses a quasi-equilibrium based relaxation mechanism to model collisions between a polymer dumbbell and a…
An analytic, asymptotic approximation of the nonlinear steady-state equations for viscoelastic creeping flow, modeled by the Oldroyd-B equations with polymer stress diffusion, is derived. Near the extensional stagnation point the flow…
The nature of the theta point for a polymer in two dimensions has long been debated, with a variety of candidates put forward for the critical exponents. This includes those derived by Duplantier and Saleur (DS) for an exactly solvable…
We present results about large deviations and laws of large numbers for various polymer related quantities. In a completely general setting and strictly positive temperature, we present results about large deviations for directed polymers…
After extensive quasi-static shearing, dense dry granular flows attain a steady-state condition of porosity and deviatoric stress, even as particles are continually rearranged. The paper considers two-dimensional flow and derives the…
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…
The unfolding of a polymer below the $\theta$ point when pulled by an external force is studied both in d=2 on the lattice and in $d=3$ off lattice. A ground state analysis of finite length chains shows that the globule unfolds via multiple…
A brief review of modeling and simulation methods for a study of polymers at interfaces is provided. When studying truly multiscale problems as provided by realistic polymer systems, coarse graining is practically unavoidable. In this…
Using well-known mathematical foundations of the elasticity theory, a mathematical model for two solutes transport in a poroelastic material (soft tissue is a typical example) is suggested. It is assumed that molecules of essentially…
The two-dimensional cage model for polymer motion is discussed with an emphasis on the effect of sideways motions, which cross the barriers imposed by the lattice. Using the Density Matrix Method as a solver of the Master Equation, the…
We study the behavior of a monolayer, which occupies initially a bounded region on an ideal crystalline surface and then evolves in time due to random hopping motion of the monolayer particles. In the case when the initially occupied region…
A coarse-grained model for solutions of polymers in supercritical fluids is introduced and applied to the system of hexadecane and carbon dioxide as a representative example. Fitting parameters of the model to the gas-liquid critical point…
We compute the two-point correlation functions of general quadratic operators in the high-temperature phase of the three-dimensional O(N) vector model by using field-theoretical methods. In particular, we study the small- and large-momentum…
The number of allowed configurations of a polymer is reduced by the presence of a repulsive surface resulting in an entropic force between them. We develop a method to calculate the entropic force, and detailed pressure distribution, for…
The hydrodynamic radius of a polymer chain, obtained using Brownian dynamics simulations of the continuum Edwards model, is found to obey a crossover in the excluded volume parameter z, which is significantly different from that observed…
The properties of a semiflexible polymer with fixed ends exposed to oscillatory shear flow are investigated by simulations. The two-dimensionally confined polymer is modeled as a linear bead-spring chain, and the interaction with the fluid…
Due to their unique topology of having no chain ends, dilute solutions of ring polymers exhibit behaviour distinct from their linear chain counterparts. The universality of their static and dynamic properties, as a function of solvent…
We successfully extend a multiscale simulation (MSS) method to nonisothermal well-entangled polymer melt flows between two coaxial cylinders. In the multiscale simulation, the macroscopic flow system is connected to a number of microscopic…