Related papers: Polymer Solutions
We review methods that allow one to detect and characterise quantum correlations in many-body systems, with a special focus on approaches which are scalable. Namely, those applicable to systems with many degrees of freedom, without…
The structure of flexible polymers endgrafted in cylindrical pores of diameter D is studied as a function of chain length N and grafting density \sigma, assuming good solvent conditions. A phenomenological scaling theory, describing the…
We develop a simple recursive approach to treat reversible condensation polymerization with cyclization. Based upon a minimum set of balance equations, the law of mass action, Gaussian chain statistics, and the assumption of independent…
Percolation is a cornerstone concept in physics, providing crucial insights into critical phenomena and phase transitions. In this study, we adopt a kinetic perspective to reveal the scaling behaviors of higher-order gaps in the largest…
A Brownian dynamics algorithm is used to describe the static behaviour of associative polymer solutions. Predictions for the fractions of stickers bound by intra-chain and inter-chain association, as a function of system parameters, such as…
The role of solvent quality in determining the universal material properties of dilute polymer solutions undergoing steady simple shear flow is examined. A bead-spring chain representation of the polymer molecule is used, and the influence…
The two-body Coulomb scattering problem is solved using the standard complex scaling method. The explicit enforcement of the scattering boundary condition is avoided. Splitting of the scattering wave function based on the Coulomb modified…
A fundamental paradigm in polymer physics is that macromolecular conformations in equilibrium can be described by universal scaling laws, being key for structure, dynamics, and function of soft (biological) matter and in the materials…
The universal scalability law (USL) is an analytic model used to quantify application scaling. It is universal because it subsumes Amdahl's law and Gustafson linearized scaling as special cases. Using simulation, we show: (i) that the USL…
In this article, we introduce a generalization of the diffusive motion of point-particles in a turbulent convective flow with given correlations to a polymer or membrane. In analogy to the passive scalar problem we call this the passive…
Solvation is a notoriously difficult and nagging problem for the rigorous theoretical description of chemistry in the liquid phase. Successes and failures of various approaches ranging from implicit solvation modeling through dielectric…
We present a short overview over recent MD simulations of systems of fully flexible polyelectrolyte chains with explicitly treated counter ions using the full Coulomb potential. The main emphasis is given on the conformational properties of…
Using the specific model of a system of like charged ions confined between two planar like charged surfaces, we compare the predictions for the energy and density profile of four simulation methods available to treat the long range Coulomb…
Bead spring models for polymers in solution are nonlinear if either the finite extensibility of the polymer, excluded volume effects or hydrodynamic interactions between polymer segments are taken into account. For such models we use a…
The rapid collapse of a polymer, due to external forces or changes in solvent, yields a long-lived `crumpled globule.' The conjectured fractal structure shaped by hierarchical collapse dynamics has proved difficult to establish, even with…
We propose and analyze a mathematical model of the mechanics of gels, consisting of the laws of balance of mass and linear momentum. We consider a gel to be an immiscible and incompressible mixture of a nonlinearly elastic polymer and a…
We discuss in detail a recently proposed hybrid particle-continuum scheme for complex fluids and evaluate it at the example of a confined homopolymer solution in slit geometry. The hybrid scheme treats polymer chains near the impenetrable…
We present a kinetic model of crystal growth of polymers of finite molecular weight. Experiments help to classify polymer crystallization broadly into two kinetic regimes. One is observed in melts or in high molar mass polymer solutions and…
The influence of monomer-monomer interactions on the scaling exponents and shape characteristics of a single polymer chain in a selective solvent is investigated using Langevin dynamics simulations. By systematically increasing the…
We examine the scaling of the linear dimension of the system size of a real polymer solution at constant excess free energy and in two different spacial dimensionalities, d=d0 and d=d1. Standard results for the functional form of the excess…