Induced permittivity increment of electrorheological fluids in an applied electric field in association with chain formation: A Brownian dynamics simulation study.

We report Brownian dynamics simulation results for the relative permittivity of electrorheological (ER) fluids in an applied electric field. The relative permittivity of an ER fluid can be calculated from the Clausius-Mosotti (CM) equation in the small applied field limit. When a strong field is applied, however, the ER spheres are organized into chains and assemblies of chains in which case the ER spheres are polarized not only by the external field but by each other.

From nanotubes to nanoholes: Scaling of selectivity in uniformly charged nanopores through the Dukhin number for 1:1 electrolytes.

Scaling of the behavior of a nanodevice means that the device function (selectivity) is a unique smooth and monotonic function of a scaling parameter that is an appropriate combination of the system's parameters. For the uniformly charged cylindrical nanopore studied here, these parameters are the electrolyte concentration, c, voltage, U, the radius and the length of the nanopore, R and H, and the surface charge density on the nanopore's surface, σ. Due to the non-linear dependence of selectivities on these parameters, scaling can only be applied in certain limits.

Rectification of bipolar nanopores in multivalent electrolytes: effect of charge inversion and strong ionic correlations.

Bipolar nanopores have powerful rectification properties due to the asymmetry in the charge pattern on the wall of the nanopore. In particular, bipolar nanopores have positive and negative surface charges along the pore axis. Rectification is strong if the radius of the nanopore is small compared to the screening length of the electrolyte so that both cations and anions have depletion zones in the respective regions.

Multiscale analysis of the effect of surface charge pattern on a nanopore's rectification and selectivity properties: From all-atom model to Poisson-Nernst-Planck.

We report a multiscale modeling study for charged cylindrical nanopores using three modeling levels that include (1) an all-atom explicit-water model studied with molecular dynamics, and reduced models with implicit water containing (2) hard-sphere ions studied with the Local Equilibrium Monte Carlo simulation method (computing ionic correlations accurately), and (3) point ions studied with Poisson-Nernst-Planck theory (mean-field approximation). We show that reduced models are able to reproduce device functions (rectification and selectivity) for a wide variety of charge patterns, that is, reduced models are useful in understanding the mesoscale physics of the device (i.e.

Surface Characterization of Mechanochemically Modified Exfoliated Halloysite Nanoscrolls.

Surface modifications fundamentally influence the morphology of kaolinite nanostructures as a function of crystallinity and the presence of contaminants. Besides morphology, the catalytic properties of 1:1-type exfoliated aluminosilicates are also influenced by the presence of defect sites that can be generated in a controlled manner by mechanochemical activation. In this work, we investigated exfoliated halloysite nanoparticles with a quasi-homogeneous, scroll-type secondary structure toward developing structural/functional relationships for composition, atomic structure, and morphology.