Large-eddy simulation of a particle-laden turbulent channel flow

Large-eddy simulations of a vertical turbulent channel flow with 420,000 solid particles are performed in order to get insight into fundamental aspects of a riser flow The question is addressed whether collisions between particles are important for the ow statistics. The turbulent channel ow corresponds to a particle volume fraction of 0.013 and a mass load ratio of 18, values that are relatively high compared to recent literature on large-eddy simulation of two-phase ows. In order to simulate this ow, we present a formulation of the equations for compressible ow in a porous medium including particle forces. These equations are solved with LES using a Taylor approximation of the dynamic subgrid-model. The results show that due to particle-uid interactions the boundary layer becomes thinner, leading to a higher skin-friction coefcient. Important effects of the particle collisions are also observed, on the mean uid prole, but even more o on particle properties. The collisions cause a less uniform particle concentration\ud and considerably atten the mean solids velocity prole

A Framework for the Assessment and Creation of Subgrid-Scale Models for Large-Eddy Simulation

We focus on subgrid-scale modeling for large-eddy simulation of incompressible turbulent flows. In particular, we follow a systematic approach that is based on the idea that subgrid-scale models should preserve fundamental properties of the Navier–Stokes equations and turbulent stresses. To that end, we discuss the symmetries and conservation laws of the Navier–Stokes equations, as well as the near-wall scaling, realizability and dissipation behavior of the turbulent stresses. Regarding each of these properties as a model constraint, we obtain a framework that can be used to assess existing and create new subgrid-scale models. We show that several commonly used velocity-gradient-based subgrid-scale models do not exhibit all the desired properties. Although this can partly be explained by incompatibilities between model constraints, we believe there is room for improvement in the properties of subgrid-scale models. As an example, we provide a new eddy viscosity model, based on the vortex stretching magnitude, that is successfully tested in large-eddy simulations of turbulent plane-channel flow

A Novel, “Double-Clamp” Binding Mode for Human Heme Oxygenase-1 Inhibition

The development of heme oxygenase (HO) inhibitors is critical in dissecting and understanding the HO system and for potential therapeutic applications. We have established a program to design and optimize HO inhibitors using structure-activity relationships in conjunction with X-ray crystallographic analyses. One of our previous complex crystal structures revealed a putative secondary hydrophobic binding pocket which could be exploited for a new design strategy by introducing a functional group that would fit into this potential site. To test this hypothesis and gain further insights into the structural basis of inhibitor binding, we have synthesized and characterized 1-(1H-imidazol-1-yl)-4,4-diphenyl-2-butanone (QC-308). Using a carbon monoxide (CO) formation assay on rat spleen microsomes, the compound was found to be ∼15 times more potent (IC50 = 0.27±0.07 µM) than its monophenyl analogue, which is already a potent compound in its own right (QC-65; IC50 = 4.0±1.8 µM). The crystal structure of hHO-1 with QC-308 revealed that the second phenyl group in the western region of the compound is indeed accommodated by a definitive secondary proximal hydrophobic pocket. Thus, the two phenyl moieties are each stabilized by distinct hydrophobic pockets. This “double-clamp” binding offers additional inhibitor stabilization and provides a new route for improvement of human heme oxygenase inhibitors

Turbulence characteristics of particle-laden pipe flow

\u3cp\u3eTurbulence characteristics of vertical air-solid pipe flow are investigated in this paper. Direct numerical simulations of the gas phase have been performed, while the solid particles have been simulated by a Lagrangian approach, including particle collisions. The modelling of wall roughness is shown to be important to obtain agreement with experimental data. Reynolds stresses and Reynolds stress budgets are given for both phases and for a wide range of solid-air mass load ratios (mass loads), varying from 0.11 to 30. Air turbulence intensities, Reynolds shear stress, and turbulence production reduce with increasing mass load. The mean air profile does not alter for low mass loads. In this regime, a simple theory predicts that the reduction of air turbulent production relative to unladen turbulent production is approximately equal to the mass load ratio. The insight that the solids Reynolds shear stress can be significant, even for low mass loads, is essential for this explanation. It is shown that at least two mechanisms cause the turbulence reduction. In addition to the classically recognized mechanism of dissipation of turbulent fluctuations by particles, there is another suppressing mechanism in inhomogeneous flows: the non-uniform relative velocity of the phases, created because particles slip at the wall, collide, and slowly react with the continuous phase. Investigation of the air turbulent kinetic energy equation demonstrates that the relative reduction of air pressure strain is larger than the reduction of turbulent production and dissipation, and pressure strain may therefore be a cause of the reduction of the other quantities. The fluctuational dissipation induced by the drag forces from particles is small compared to the other terms, but not negligible. For intermediate and high mass loads the air turbulence remains low. The relatively small turbulence intensities are not generated by the standard turbulent mechanisms any more, but directly caused by the particle motions. The particle-fluid interaction term in the turbulent kinetic energy equation is no longer dissipative, but productive instead. On increasing the mass load, the radial and azimuthal fluctuations of the particles grow. The corresponding reduction of solids anisotropy is an effect of the inter-particle collisions, which act as a solids pressure strain term. For intermediate and high mass loads, fluctuational drag force and particle collisions appear to be the relevant dissipation mechanisms in the solids fluctuational energy equation. In contrast to the air turbulent production, the solids 'turbulent' production term has the same level for low and high mass loads, while it attains a clear local minimum between. With increasing mass load, large-scale coherent turbulent fluid structures weaken, and eventually disappear. Simultaneously, the fluid fluctuations at relatively small length scales are enhanced by the motion of the particles. The highest particle concentration occurs near the wall for low mass loads, but on increasing the mass load, the concentration profile becomes uniform, while for the highest mass load particles accumulate in the centre of the pipe. Two-point correlation functions indicate that the addition of a small number of small solid particles to a clean pipe flow increases the streamwise length scale of the turbulence.\u3c/p\u3