Related papers: Aggregation kinetics of stiff polyelectrolytes in …
Aggregation of stiff polyelectrolytes in solution and angle- and distance-dependent potential of mean force between two like-charged rods are studied in the presence of 3-valent salt using molecular dynamics simulations. In the bulk…
Similarly-charged polyelectrolytes are known to attract each other and aggregate into bundles when the charge density of the polymers exceeds a critical value that depends on the valency of the counterions. The dynamics of aggregation of…
We propose a kinetic model for the self-aggregation by amyloid proteins. By extending several well-known models for protein aggregation, the time evolution of aggregate concentrations containing $r$ proteins, denoted $c_r(t)$, can be…
Here we develop a formalism for reversible ionic aggregation kinetics in an example concentrated electrolyte, building on previous equilibrium work of McEldrew and co-workers, and thermoreversible polymers and patchy particle systems. This…
Binary coagulation is an important process in aerosol dynamics by which two particles merge to form a larger one. The distribution of particle sizes over time may be described by the so-called Smoluchowski's coagulation equation. This…
We investigate the influence of multiscale aggregation and deposition on the colloidal dynamics in a saturated porous medium. At the pore scale, the aggregation of colloids is modeled by the Smoluchowski equation. Essentially, the colloidal…
We present molecular dynamics simulations of aggregation kinetics in a colloidal suspension modeled as a highly asymmetric binary mixture. Starting from a configuration with largely uncorrelated colloidal particles the system relaxes by…
We investigate the kinetics of particle aggregation within the framework of the Smoluchowski coagulation equation, extending it to account for electrostatic interactions among charged clusters. Using a stochastic Monte Carlo implementation,…
We investigate the aggregation kinetics of a simulated telechelic polymer gel. In the hybrid Molecular Dynamics (MD) / Monte Carlo (MC) algorithm, aggregates of associating end groups form and break according to MC rules, while the position…
In this article we study an extension of Smoluchowski's discrete coagulation equation, where particle in- and output takes place. This model is frequently used to describe aggregation processes in combination with sedimentation of clusters.…
Non-equilibrium collective behavior of self-propelled colloidal rods in a confining channel is studied using Brownian dynamics simulations and dynamical density functional theory. We observe an aggregation process in which rods…
Depending on the pH value and salt concentration of Al2O3 suspensions different microstructures can form. Especially the clustered one is of major interest for industrial purposes as found in the production of ceramics. In this paper we…
We investigate the thermodynamic properties of a polyelectrolyte solution in a presence of {\it multivalent} salts. The polyions are modeled as rigid cylinders with the charge distributed uniformly along the major axis. The solution,…
We derive from the first principles new hydrodynamic equations -- Smoluchowski-Euler equations for aggregation kinetics in space-inhomogeneous fluids with fluxes. Starting from Boltzmann equations, we obtain microscopic expressions for…
In order to study linker-mediated aggregation of colloidal particles with limited valence, we combine kinetic Monte Carlo simulations and an approximate theory based on the Smoluchowski equations. We found that aggregation depends strongly…
We investigate in detail the initial susceptibility, magnetization curves, and microstructure of ferrofluids in various concentration and particle dipole moment ranges by means of molecular dynamics simulations. We use the Ewald summation…
We introduce an extended Smoluchowski equation describing coagulation processes for which clusters of mass s grow between collisions with $ds/dt=As^\beta$. A physical example, dropwise condensation is provided, and its collision kernel K is…
Similarly-charged polymers in solution, known as polyelectrolytes, are known to form aggregated structures in the presence of oppositely charged counterions. Understanding the dependence of the equilibrium phases and the dynamics of the…
By means of multicanonical computer simulations, we investigate thermodynamic properties of the aggregation of interacting semiflexible polymers. We analyze a mesoscopic bead-stick model, where nonbonded monomers interact via Lennard-Jones…
We study dynamics of clustering in systems containing active particles that are immersed in an explicit solvent. For this purpose we have adopted a hybrid simulation method, consisting of molecular dynamics and multi-particle collision…