Single-phase flows, modeling

Developed sub-model A 2D single-phase flow model - down the channel and across the EC sandwich. 

Jiang, Y., Khadilkar, M. R., Al-Dahhan, M. H., Dudukovic, M. P., Single phase flow modeling in packed beds Discrete cell approach revisited. Chemical Engineering Science, 2000, 55,10, 1829-1844... 

In paper [10] the first mathematical model of the process was developed. It was based on single-phase flow model coupled with population dynamics equation. The bacterial population was considered in the average and various forms of its existence were reflected in nonlinear kinetics of population growth. 

The two models commonly used for the analysis of processes in which axial mixing is of importance are (1) the series of perfectly mixed stages and (2) the axial-dispersion model. The latter, which will be used in the following, is based on the assumption that a diffusion process in the flow direction is superimposed upon the net flow. This model has been widely used for the analysis of single-phase flow systems, and its use for a continuous phase in a two-phase system appears justified. For a dispersed phase (for example, a bubble phase) in a two-phase system, as discussed by Miyauchi and Vermeulen, the model is applicable if all of the dispersed phase at a given level in a column is at the same concentration. Such will be the case if the bubbles coalesce and break up rapidly. However, the model is probably a useful approximation even if this condition is not fulfilled. It is assumed in the following that the model is applicable for a continuous as well as for a dispersed phase in gas-liquid-particle operations. 

Methods for determining the drop in pressure start with a physical model of the two-phase system, and the analysis is developed as an extension of that used for single-phase flow. In the separated flow model the phases are first considered to flow separately and their combined effect is then examined. 

The pore geometry described in the above section plays a dominant role in the fluid transport through the media. For example, Katz and Thompson [64] reported a strong correlation between permeability and the size of the pore throat determined from Hg intrusion experiments. This is often understood in terms of a capillary model for porous media in which the main contribution to the single phase flow is the smallest restriction in the pore network, i.e., the pore throat. On the other hand, understanding multiphase flow in porous media requires a more complete picture of the pore network, including pore body and pore throat. For example, in a capillary model, complete displacement of both phases can be achieved. However, in real porous media, one finds that displacement of one or both phases can be hindered, giving rise to the concept of residue saturation. In the production of crude oil, this often dictates the fraction of oil that will not flow. 

The number of equations to be solved is, among other things, related to the turbulence model chosen (in comparison with the k-e model, the RSM involves five more differential equations). The number of equations further depends on the character of the simulation whether it is 3-D, 21/2-D, or just 2-D (see below, under The domain and the grid ). In the case of two-phase flow simulations, the use of two-fluid models implies doubling the number of NS equations required for single-phase flow. All this may urge the development of more efficient solution algorithms. Recent developments in computer hardware (faster processors, parallel platforms) make this possible indeed. 

The CFD models considered up to this point are, as far as the momentum equation is concerned, designed for single-phase flows. In practice, many of the chemical reactors used in industry are truly multiphase, and must be described in the context of CFD by multiple momentum equations. There are, in fact, several levels of description that might be attempted. At the most detailed level, direct numerical simulation of the transport equations for all phases with fully resolved interfaces between phases is possible for only the simplest systems. For... 

Second, due to the difficulty of accessing multiphase flows with laser-based flow diagnostics, there is very little experimental data available for validating multiphase turbulence models to the same degree as done in single-phase turbulent flows. For example, thanks to detailed experimental measurements of turbulence statistics, there are many cases for which the single-phase k- model is known to yield poor predictions. Nevertheless, in many CFD codes a multiphase k-e model is used to supply multiphase turbulence statistics that cannot be measured experimentally. Thus, even if a particular multiphase turbulent flow could be adequately described using an effective viscosity, in most cases it is impossible to know whether the multiphase turbulence model predicts reasonable values for... 

Note that these expressions (Eqs. 156 and 157) appear deceptively simple (i.e., as if the problem can be reduced to modeling a variable-density, single-phase flow) because we have hidden the difficult terms in the definition of some new symbols First, the phase-average stress a is defined by... 

In the current state of the art, almost all multiphase CFD models available in commercial codes use some type of turbulence model based on extending models originally developed for single-phase flows. Such CFD models are thus meant to describe fully turbulent flows (as opposed to laminar or transitional flows). Nevertheless, many of these models have not been validated... 

The approaches adopted in the homogeneous model and the separated flow model are opposites in the former it is assumed that the two-phase flow can be treated as a hypothetical single-phase flow having some kind of average properties, while in the separated flow model it is assumed that distinct parts of the flow cross section can be assigned to the two phases, reflecting what occurs to a large extent in annular flow. 

As the reactor was operated under pressure enough to keep a single-phase flow while the liquid feed was saturated with oxygen, the situation is equivalent to constant gas-phase concentration and saturated liquid phase. Thus, the model solution appropriate for a first-order reaction with respect to the liquid reactant is (eq. (5.350))... 

Nevertheless, the generalized slit model needs a preliminary determination of the two Ergun constants from single-phase flow experiments, which is not easily to perform in the industrial practice, and of the two slip factors, which is unfortunately more difficult. 

Computational fluid dynamics enables us to investigate the time-dependent behavior of what happens inside a reactor with spatial resolution from the micro to the reactor scale. That is to say, CFD in itself allows a multi-scale description of chemical reactors. To this end, for single-phase flow, the space resolution of the CFD model should go down to the scales of the smallest dissipative eddies (Kolmogorov scales) (Pope, 2000), which is inversely proportional to Re-3/4 and of the orders of magnitude of microns to millimeters for typical reactors. On such scales, the Navier-Stokes (NS) equations can be expected to apply directly to predict the hydrodynamics of well-defined system, resolving all the meso-scale structures. That is the merit of the so-called DNS. 

The "correlative" multi-scale CFD, here, refers to CFD with meso-scale models derived from DNS, which is the way that we normally follow when modeling turbulent single-phase flows. That is, to start from the Navier-Stokes equations and perform DNS to provide the closure relations of eddy viscosity for LES, and thereon, to obtain the larger scale stress for RANS simulations (Pope, 2000). There are a lot of reports about this correlative multi-scale CFD for single-phase turbulent flows. Normally, clear scale separation should first be distinguished for the correlative approach, since the finer scale simulation need clear specification of its boundary. In this regard, the correlative multi-scale CFD may be viewed as a "multilevel" approach, in the sense that each span of modeled scales is at comparatively independent level and the finer level output is interlinked with the coarser level input in succession. 

One of the simplified heat transfer models of two-phase flows is the pseudocontinuum one-phase flow model, in which it is assumed that (1) local thermal equilibrium between the two phases exists (2) particles are evenly distributed (3) flow is uniform and (4) heat conduction is dominant in the cross-stream direction. Therefore, the heat balance leads to a single-phase energy equation which is based on effective gas-solid properties and averaged temperatures and velocities. For an axisymmetric flow heated by a cylindrical heating surface at rw, the heat balance equation can be written as... 

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