The Boltzmann equation with the Bhatnagar-Gross-Krook collision model (Boltzmann-BGK
equation) has been widely employed to describe multiscale flows, ie, from the hydrodynamic …

Abstract Theory and numerical simulations play a major role in the development of improved
and novel separation methods. In some cases, computer simulations predict counterintuitive …

Polymer brushes are formed from flexible linear macromolecules tethered at one chain end
to a solid substrate, forming a dense polymeric layer of polymer chains which are more or …

The self-diffusiophoresis of Janus catalytic micromotors (JCMs) in confined environment is
studied using direct numerical simulations. The simulations revealed that, on average, the …

Computer simulations and in particular mesoscopic simulation techniques such as the
dissipative particle dynamics (DPD) technique, enable researchers to study the complexities …

Molecular dynamics-based simulations have been extensively used to study the effects of
coatings on a variety of surfaces. These coatings have found utilization in improving upon …

Mixed polymer brush-grafted nanochannels—where two distinct species of polymers are
alternately grafted on the inner surface of nanochannels—are an interesting class of …

The combination of hydrodynamic and electrostatic interactions leads to non-trivial effects
that can be observed in various electrophoretic and electro-osmosis systems. In this article …

Electro-osmotic flow (EOF) plays a crucial role in the functioning of devices in micro-and
nanofluidics. In order to optimize the operation of a device, polymer coatings are often used …

We use molecular dynamics simulations to investigate the control of electroosmotic flow by
grafting polymers onto two parallel channel walls. The effects of the grafting density and the …