We report results of molecular dynamics simulations to understand the role of solute and solute-solvent interaction on solute diffusivity in a solid solution within a body centered cubic solid when the solute size is significantly smaller than the size of the solvent atom. Results show that diffusivity is maximum for two specific sizes of the solute atom. This is the first time that twin maxima...

We address the investigation of the solvation properties of the minimal orientational model for water originally proposed by [Bell and Lavis, J. Phys. A 3, 568 (1970)]. The model presents two liquid phases separated by a critical line. The difference between the two phases is the presence of structure in the liquid of lower density, described through the orientational order of particles. We hav...

We present an experimentally guided, multi-phase, multi-species polyelectrolyte gel model to make qualitative predictions on the equilibrium electro-chemical properties of articular cartilage. The mixture theory consists of two different types of polymers: poly(ethylene gylcol) (PEG), chondrotin sulfate (ChS), water (acting as solvent) and several different ions: H(+), Na(+), Cl(-). The polymer...

The present study investigates the effect of temperature-induced change of phase from face centred cubic solid to liquid on the size dependence of self diffusivity of solutes through detailed molecular dynamics simulations on binary mixtures consisting of a larger solvent and a smaller solute interacting via Lennard-Jones potential. The effect of change in density during the solid-liquid transi...

In this paper the thermal convective instabilities of a binary nanofluid is theoretically investigated. In order to analyze a binary nanofluid, an addition factor is proposed under linear stability theory which is applied to the stability analysis of normal fluid. The factor describes the effect of nanoparticles on the convective instability of a basefluid. The Soret effect which represents the...

This chapter reviews the differential geometry-based solvation and electrolyte transport for biomolecular solvation that have been developed over the past decade. A key component of these methods is the differential geometry of surfaces theory, as applied to the solvent-solute boundary. In these approaches, the solvent-solute boundary is determined by a variational principle that determines the...

A repetitive sequence of quiescent fluid layers of differing viscosities through which small spherical Brownian particles move is analyzed in order to illustrate in a simple context how the theory of macrotransport processes, a generalization of Taylor dispersion theory, may be employed to rigorously analyze spatially periodic micropatterned chromatographic separation devices for circumstances ...

I. Mica sheets were made into membranes by a process of bombardment with fission fragments from a U 235 source and subsequent etching with hydrofluoric acid. Pores formed by this process were essentially straight through the membrane, extremely uniform in size and elliptical in cross-section. On eight of these membranes, with pore radii ranging from 45 to 300 A, air flow, water flow, and diffus...