Related papers: A multi-blob representation of semi-dilute polymer…
The equilibrium properties of polymer droplets on a soft deformable surface are investigated by molecular dynamics simulations of a bead-spring model. The surface consists of a polymer brush with irreversibly end-tethered linear homopolymer…
In this paper, diffusion in polymer solutions undergoing evaporation of solvent is modeled as a coupled heat and mass transfer problem with moving boundary condition within the framework of nonequilibrium thermodynamics. The proposed…
Almost block diagonal linear systems of equations can be exemplified by two modules. This makes it possible to construct all sequential forms of band and/or block elimination methods, six old and fourteen new. It allows easy assessment of…
An improved numerical solver for the unified solution of compressible and incompressible fluids involving interfaces is proposed. The present method is based on the CIP-CUP (Cubic Interpolated Propagation / Combined, Unified Procedure)…
We investigate high-Reynolds number turbulence in dilute polymer solutions. We show the existence of a critical value of the Reynolds number which separates two different regimes. In the first regime, below the transition, the influence of…
We report on quantitative comparisons between simulation results of a bead-spring model and mode-coupling theory calculations for the structural and conformational dynamics of a supercooled, unentangled polymer melt. We find…
A mixture of solvent particles with short-range, directional interactions and solute particles with short-range, isotropic interactions that can bond multiple times is of fundamental interest in understanding liquids and colloidal mixtures.…
We propose a high resolution finite volume scheme for a (m+1)x(m+1) system of non strictly hyperbolic conservation laws which models multicomponent polymer flooding in enhanced oil-recovery process in two dimensions. In the presence of…
The connection between fundamental interactions acting in molecules in a fluid and macroscopically measured properties, such as the viscosity between colloidal particles coated with polymers, is studied here. The role that hydrodynamic and…
Several sub-diffusive stochastic processes in nature, e.g., motion of tagged monomer in polymers, height fluctuation of interfaces and particle dynamics in single-file diffusion etc. can be described rigorously or approximately by the…
The osmotic pressure $P$ in equilibrium polymers (EP) in good solvent is investigated by means of a three dimensional off-lattice Monte Carlo simulation. Our results compare well with real space renormalisation group theory and the osmotic…
This paper presents a thermodynamically consistent model for multicomponent electrolyte solutions. The first part of this paper derives the general governing equations for nonequilibrium systems within the theory of nonequilibrium…
The experimental literature on the motion of mesoscopic probe particles through polymer solutions is systematically reviewed. The primary focus is the study of diffusive motion of small probe particles. Comparison is made with measurements…
We describe a simulation method for the accurate study of the equilibrium freezing properties of polydisperse fluids under the experimentally relevant condition of fixed polydispersity. The approach is based on the phase switch Monte Carlo…
With respect to earlier investigations, the theory of multi-component, concentric, copolar, axisymmetric, rigidly rotating polytropes is improved and extended, including subsystems with nonzero density on the boundary and subsystems with…
Motivation: In systems biology, modelling strategies aim to decode how molecular components interact to generate dynamical behaviour. Boolean modelling is more and more used, but the description of the dynamics from two-levels components…
We present an approach to characterize genuine multiparticle entanglement using appropriate approximations in the space of quantum states. This leads to a criterion for entanglement which can easily be calculated using semidefinite…
The development of a coherent conceptual basis for the treatment of non-linear microscopic phenomena, such as, hydrodynamic interaction, finite extensibility, excluded volume and internal viscosity, in molecular theories of dilute polymer…
A deterministic mathematical model for the polymerization of hyperbranched molecules accounting for substitution, cyclization, and shielding effect has been developed as a system of nonlinear population balances. The solution obtained by a…
The properties of polymer liquids on hard and soft substrates are investigated by molecular dynamics simulation of a coarse-grained bead-spring model and dynamic single-chain-in-mean-field (SCMF) simulations of a soft, coarse-grained…