Related papers: Influence of molecular shape on self-diffusion und…
We have theoretically studied the uptake of a non-uniformly charged biomolecule, suitable to represent a globular protein or a drug, by a charged hydrogel carrier in the presence of a 1:1 electrolyte. Based on the analysis of a physical…
The self-diffusion process of a hard sphere fluid confined by two parallel plates separated by a distance on the order of the particle diameter is studied. The starting point is a closed kinetic equation for the distribution function that…
Mixtures of active and passive particles are ubiquitous at the microscale. Many essential microbial processes involve interactions with dead or immotile cells or passive crowders. When passive objects are immersed in active baths, their…
We use molecular dynamics simulations to investigate the displacement of a simple butterfly-like molecular motor inside nanopores of various radii filled with a viscous medium. The medium is modeled with a versatile potential that may be…
We investigate the influence of varying confinement on the dynamics of polymer translocation through a cone shaped channel. For this, a linear polymer chain is modeled by a self voiding walks (SAWs) on a square lattice. The cis-side of a…
Although density functional theory provides reliable predictions for the static properties of simple fluids under confinement, a theory of comparative accuracy for the transport coefficients has yet to emerge. Nonetheless, there is evidence…
The behavior of the diameter of the coexistence curve in terms of the entropy and the corresponding diameter are investigated. It is shown that the diameter of the coexistence curve in term of the entropy is sensitive to the change in the…
We analyze radial and azimuthal variations of the phase balance between the molecular and atomic ISM in the Milky Way. In particular, the azimuthal variations -- between spiral arm and interarm regions -- are analyzed without any explicit…
We study turbulent channel flows of monodisperse and polydisperse suspensions of finite-size spheres by means of Direct Numerical Simulations using an immersed boundary method to account for the dispersed phase. Suspensions with 3 different…
We perform molecular dynamics simulations using the extended simple point charge SPC/E water model in order to investigate the dynamical behavior of supercooled-stretched water. We focus on the behavior of the translational diffusion…
Morphologies of a vesicle confined in a spherical vesicle were explored experimentally by fast confocal laser microscopy and numerically by a dynamically-triangulated membrane model with area-difference elasticity. The confinement was found…
We study the influence of particle size asymmetry on structural evolution of randomly jammed binary sphere mixtures with varying large-sphere/small-sphere composition. Simulations of jammed packings are used to assess the transition from…
We investigate by Molecular-Dynamics simulations the fast mobility - the rattling amplitude of the particles temporarily trapped by the cage of the neighbors - in mildly supercooled states of dense molecular (linear trimers) and atomic…
We analyze the diffusive transport of Brownian particles in narrow channels with periodically varying cross-section. The geometrical confinements lead to entropic barriers, the particle has to overcome in order to proceed in transport…
The mechanism of the shift, broadening and quenching of the ammonia inversion frequency with gas pressure has been a problem of lively interest for over seventy years. A simple quantum model of the ammonia molecule perturbed by collisions…
Transport of nanoscale objects in complex, structured environments plays a key role in a wide range of processes, from biomolecular dynamics in extracellular spaces to transport in porous materials such as filters and catalysts. While…
We studied the self-diffusion of colloidal ellipsoids in a monolayer near a flat wall by video microscopy. The image processing algorithm can track the positions and orientations of ellipsoids with sub-pixel resolution. The translational…
Recent experiments reveal both passive subdiffusion of various nanoparticles and anomalous active transport of such particles by molecular motors in the molecularly crowded environment of living biological cells. Passive and active…
In many natural and artificial devices diffusive transport takes place in confined geometries with corrugated boundaries. Such boundaries cause both entropic and hydrodynamic effects, which have been studied only for the case of spherical…
Past work has shown that ions can pass through a membrane more readily in one direction than the other. We demonstrate here in a model and an experiment that for a mixture of small and large particles such asymmetric diffusion can arise…