Nonequilibrium molecular dynamics simulations of nanoconfined fluids at solid-liquid interfaces.

We investigate the hydrodynamic properties of a Lennard-Jones fluid confined to a nanochannel using molecular dynamics simulations. For channels of different widths and hydrophilic-hydrophobic surface wetting properties, profiles of the fluid density, stress, and viscosity across the channel are obtained and analysed. In particular, we propose a linear relationship between the density and viscosity in confined and strongly inhomogeneous nanofluidic flows. The range of validity of this relationship is explored in the context of coarse grained models such as dynamic density functional-theory.

Carbon-Nanohorn Based Nanofluids for a Direct Absorption Solar Collector for Civil Application.

Direct solar absorption has been often considered in the past as a possible solution for solar thermal collectors for residential and small commercial applications. A direct absorption could indeed improve the performance of solar collectors by skipping one step of the heat transfer mechanism in standard devices and having a more convenient temperature distribution inside the collector. Classical solar thermal collectors have a metal sheet as absorber, designed such that water has the minimum temperature in each transversal section, in order to collect as much solar thermal energy as possible. On the other hand, in a direct configuration, the hottest part of the system is the operating fluid and this allows to have a more efficient conversion. Nanofluids, i.e., fluids with a suspension of nanoparticles, such as carbon nanohorns, could be a good and innovative family of absorbing fluids owing to their higher absorption coefficient compared to the base fluid and stability under moderate temperature gradients. Moreover, carbon nanohorns offer the remarkable advantage of a reduced toxicity over other carbon nanoparticles. In this work, a three-dimensional model of the absorption phenomena in nanofluids within a cylindrical tube is coupled with a computational fluid dynamics (CFD) analysis of the flow and temperature field. Measured optical properties of nanofluids at different concentrations have been implemented in the model. Heat losses due to conduction, convection and radiation at the boundaries are considered as well.

Three ways to lattice Boltzmann: a unified time-marching picture.

It is shown that the lattice Boltzmann equation (LBE) corresponds to an explicit Verlet time-marching scheme for a continuum generalized Boltzmann equation with a memory delay equal to a half time step. This proves second-order accuracy of LBE with respect to this generalized equation, with no need of resorting to any implicit time-marching procedure (Crank-Nicholson) and associated nonlinear variable transformations. It is also shown, and numerically demonstrated, that this equivalence is not only formal, but it also translates into a complete equivalence of the corresponding computational schemes with respect to the hydrodynamic equations. Second-order accuracy with respect to the continuum kinetic equation is also numerically demonstrated for the case of the Taylor-Green vortex. It is pointed out that the equivalence is however broken for the case in which mass and/or momentum are not conserved, such as for chemically reactive flows and mixtures. For such flows, the time-centered implicit formulation may indeed offer a better numerical accuracy.