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The dynamic subgrid-scale (SGS) model of Germano et al. [Phys. Fluids A 3, 1760 (1991)] is generalized for the large eddy simulation (LES) of compressible flows and transport of a scalar. The model was applied to the LES of decaying isotropic turbulence, and the results are in excellent agreement with experimental data and direct numerical simulations. The expression for the SGS turbulent Prandtl number was evaluated using direct numerical simulation (DNS) data in isotropic turbulence, homogeneous shear flow, and turbulent channel flow. The qualitative behavior of the model for turbulent Prandtl number and its dependence on molecular Prandtl number, direction of scalar gradient, and distance from the wall are in accordance with the total turbulent Prandtl number from the DNS data.

Direct numerical simulation of isotropic turbulence was used to investigate the effect of turbulence on the concentration fields of heavy particles. The hydrodynamic field was computed using 643 points and a statistically stationary flow was obtained by forcing the low-wave-number components of the velocity field. The particles used in the simulations were time advanced according to Stokes drag law and were also assumed to be much more dense than the fluid. Properties of the particle cloud were obtained by following the trajectories of 1 000 000 particles through the simulated flow fields. Three values of the ratio of the particle time constant to large-scale turbulence time scale were used in the simulations: 0.075, 0.15, and 0.52. The simulations show that the particles collect preferentially in regions of low vorticity and high strain rate. This preferential collection was most pronounced for the intermediate particle time constant (0.15) and it was also found that the instantaneous number density was as much as 25 times the mean value for these simulations. The fact that dense particles collect in regions of low vorticity and high strain in turn implies that turbulence may actually inhibit rather than enhance mixing of particles.

The effect of turbulence on particle concentration fields and the modification of turbulence by particles has been investigated using direct numerical simulations of isotropic turbulence. The particle motion was computed using Stokes’ law of resistance and it was also assumed the particle volume fraction was negligible. For simulations in which the particles do not modify the turbulence field it was found that light particles collect preferentially in regions of low vorticity and high strain rate. For increased mass loading the particle field attenuated an increasing fraction of the turbulence energy. Examination of the spatial energy spectra showed that the fraction of turbulence kinetic energy in the high wave numbers was increased relative to the energy in the low wave numbers for increasing values of the mass loading. It was also found that the turbulence field was modified differently by light particles than by heavy particles because of the preferential collection of the light particles in low-vorticity, high-strain-rate regions. Correlation coefficients between the second invariant of the deformation tensor and pressure showed little sensitivity to increased loading while correlations between enstrophy and pressure were decreased more by the light particles than by the heavy particles for increased mass loading.

The modulation of isotropic turbulence by particles has been investigated using direct numerical simulation (DNS). The particular focus of the present work is on the class of dilute flows in which particle volume fractions and inter-particle collisions are negligible. Gravitational settling is also neglected and particle motion is assumed to be governed by drag with particle relaxation times ranging from the Kolmogorov scale to the Eulerian time scale of the turbulence and particle mass loadings up to 1. The velocity field was made statistically stationary by forcing the low wavenumbers of the flow. The calculations were performed using 96 3 collocation points and the Taylor-scale Reynolds number for the stationary flow was 62. The effect of particles on the turbulence was included in the Navier-Stokes equations using the point-force approximation in which 96 3 particles were used in the calculations. DNS results show that particles increasingly dissipate fluid kinetic energy with increased loading, with the reduction in kinetic energy being relatively independent of the particle relaxation time. Viscous dissipation in the fluid decreases with increased loading and is larger for particles with smaller relaxation times. Fluid energy spectra show that there is a non-uniform distortion of the turbulence with a relative increase in small-scale energy. The non-uniform distortion significantly affects the transport of the dissipation rate, with the production and destruction of dissipation exhibiting completely different behaviours. The spectrum of the fluid-particle energy exchange rate shows that the fluid drags particles at low wavenumbers while the converse is true at high wavenumbers for small particles. A spectral analysis shows that the increase of the high-wavenumber portion of the fluid energy spectrum can be attributed to transfer of the fluid-particle covariance by the fluid turbulence. This in turn explains the relative increase of small-scale energy caused by small particles observed in the present simulations as well as those of Squires & Eaton (1990) and Elghobashi & Truesdell (1993).

The velocity distribution of dilute suspensions of heavy particles in gas–solid turbulent flows is investigated. A statistical approach – the mesoscopic Eulerian formalism (MEF) – is developed in which an average conditioned on a realization of the turbulent carrier flow is introduced and enables a decomposition of the instantaneous particle velocity into two contributions. The first is a contribution from an underlying continuous turbulent velocity field shared by all the particles – the mesoscopic Eulerian particle velocity field (MEPVF) – that accounts for all particle–particle and fluid–particle two-point correlations. The second contribution corresponds to a distribution – the quasi-Brownian velocity distribution (QBVD) – that represents a random velocity component satisfying the molecular chaos assumption that is not spatially correlated and identified with each particle of the system. The MEF is used to investigate properties of statistically stationary particle-laden isotropic turbulence. The carrier flow is computed using direct numerical simulation (DNS) or large-eddy simulation (LES) with discrete particle tracking employed for the dispersed phase. Particle material densities are much larger than that of the fluid and the force of the fluid on the particle is assumed to reduce to the drag contribution. Computations are performed in the dilute regime for which the influences of inter-particle collisions and fluid-turbulence modulation are neglected. The simulations show that increases in particle inertia increase the contribution of the quasi-Brownian component to the particle velocity. The particle velocity field is correlated at larger length scales than the fluid, with the integral length scales of the MEPVF also increasing with particle inertia. Consistent with the previous work of Abrahamson (1975), the MEF shows that in the limiting case of large inertia, particle motion becomes stochastically equivalent to a Brownian motion with a random spatial distribution of positions and velocities. For the current system of statistically stationary isotropic turbulence, both the DNS and LES show that the fraction of the kinetic energy residing in the mesoscopic field decreases with particle inertia as the square root of the ratio of the total particulate-phase kinetic energy to that of the fluid.

CO2 sequestration via carbonation of widely available low-cost minerals, such as olivine, can permanently dispose of CO2 in an environmentally benign and a geologically stable form. We report the results of studies of the mechanisms that limit aqueous olivine carbonation reactivity under the optimum sequestration reaction conditions observed to date: 1 M NaCl + 0.64 M NaHCO3 at Te 185 degrees C and P(CO2) approximately equal to 135 bar. A reaction limiting silica-rich passivating layer (PL) forms on the feedstock grains, slowing carbonate formation and raising process cost. The morphology and composition of the passivating layers are investigated using scanning and transmission electron microscopy and atomic level modeling. Postreaction analysis of feedstock particles, recovered from stirred autoclave experiments at 1500 rpm, provides unequivocal evidence of local mechanical removal (chipping) of PL material, suggesting particle abrasion. This is corroborated by our observation that carbonation increases dramatically with solid particle concentration in stirred experiments. Multiphase hydrodynamic calculations are combined with experimentto better understand the associated slurry-flow effects. Large-scale atomic-level simulations of the reaction zone suggest that the PL possesses a "glassy" but highly defective SiO2 structure that can permit diffusion of key reactants. Mitigating passivating layer effectiveness is critical to enhancing carbonation and lowering sequestration process cost.