Concentration transport equation

In summary, the Boussinesq-Basset, Brownian, and thermophoretic forces are rarely used in disperse multiphase flow simulations for different reasons. The Boussinesq-Basset force is neglected because it is needed only for rapidly accelerating particles and because its form makes its simulation difficult to implement. The Brownian and thermophoretic forces are important for very small particles, which usually implies that the particle Stokes number is near zero. For such particles, it is not necessary to solve transport equations for the disperse-phase momentum density. Instead, the Brownian and thermophoretic forces generate real-space diffusion terms in the particle-concentration transport equation (which is coupled to the fluid-phase momentum equation). 

For a purely axial temperature gradient, if the cross section mean decomposition is again performed, a new mean concentration transport equation is derived... 

C) and Cgm denote the mean concentration in the occupied zone, concentration at a given point P, the mean concentration in the room, and the concentration at the outlet, respectively. To numerically simulate these parameters, the velocity field is first computed. Then a contaminant source is introduced at a cell (or cells) of a region to be studied, and the transport equation for contaminant C is solved. The transport equation for C is... 

An important assumption was that the solution was dilute (in this case natural water of approximately lOOp.p.m. total dissolved solids) since there are difficulties in applying mass transport equations for certain situations in concentrated electrolyte solution, where a knowledge of activities is uncertain and this can lead to large errors. 

Recent developments of the chemical model of electrolyte solutions permit the extension of the validity range of transport equations up to high concentrations (c 1 mol L"1) and permit the representation of the conductivity maximum Knm in the framework of the mean spherical approximation (MSA) theory with the help of association constant KA and ionic distance parameter a, see Ref. [87] and the literature quoted there in. 

A general conclusion from the review of the distribution of plutonium between different compartments of the ecosystem was that the enrichment of plutonium from water to food was fairly well compensated for by man s metabolic discrimination against plutonium. Therefore, under the conditions described above, it may be concluded that plutonium from a nuclear waste repository in deep granite bedrock is not likely to reach man in concentrations exceeding permissible levels. However, considering the uncertainties in the input equilibrium constants, the site-specific Kd-values and the very approximate transport equation, the effects of the decay products, etc. — as well as the crude assumptions in the above example — extensive research efforts are needed before the safety of a nuclear waste repository can be scientifically proven. 

An important step toward the understanding and theoretical description of microwave conductivity was made between 1989 and 1993, during the doctoral work of G. Schlichthorl, who used silicon wafers in contact with solutions containing different concentrations of ammonium fluoride.9 The analytical formula obtained for potential-dependent, photoin-duced microwave conductivity (PMC) could explain the experimental results. The still puzzling and controversial observation of dammed-up charge carriers in semiconductor surfaces motivated the collaboration with a researcher (L. Elstner) on silicon devices. A sophisticated computation program was used to calculate microwave conductivity from basic transport equations for a Schottky barrier. The experimental curves could be matched and it was confirmed for silicon interfaces that the analytically derived formulas for potential-dependent microwave conductivity were identical with the numerically derived nonsimplified functions within 10%.10... 

Boundary layer similarity solution treatments have been used extensively to develop analytical models for CVD processes (2fl.). These have been useful In correlating experimental observations (e.g. fi.). However, because of the oversimplified fiow description they cannot be used to extrapolate to new process conditions or for reactor design. Moreover, they cannot predict transverse variations In film thickness which may occur even In the absence of secondary fiows because of the presence of side walls. Two-dimensional fully parabolized transport equations have been used to predict velocity, concentration and temperature profiles along the length of horizontal reactors for SI CVD (17,30- 32). Although these models are detailed, they can neither capture the effect of buoyancy driven secondary fiows or transverse thickness variations caused by the side walls. Thus, large scale simulation of 3D models are needed to obtain a realistic picture of horizontal reactor performance. 

Via a passive scalar method [6] where or, denotes the volume fraction of the i-th phase, while T, represents the diffusivity coefiBcient of the tracer in the i-th phase. The transient form of the scalar transport equation was utilized to track the pulse of tracer through the computational domain. The exit age distribution was evaluated from the normalized concentration curve obtained via measurements at the reactor outlet at 1 second intervals. This was subsequently used to determine the mean residence time, tm and Peclet number, Pe [7]. 

In fact, since the unsteady-state transport equation for forced convection is linear, it is possible in principle to derive solutions for time-dependent boundary conditions, starting from the available step response solutions, by applying the superposition (Duhamel) theorem. If the applied current density varies with time as i(t), then the local surface concentration at any time c0(x, t) is given by... 

Assumption 5. Transfer processes as within the cell have been regarded as quasistationary. The typical time of the processes in the electrode (time of a charging or discharging being Ur-I04 s) is longer than the time of the transitional diffusion process in the elementary cell tc Rc2/D 10"1 s (radius of the cell is Rc 10"5 m, diffusion coefficient of dissolved reagents is D 10"9 m2/s). Therefore, the quasistationary concentration distribution is quickly stabilized in the cell. It is possible to neglect the time derivatives in the transport equations. 

A general transport equation describing the rate of change of the radon activity concentration in the pore space results from combining the effects of diffusion and convection ... 

Numerical solution of Chazelviel s equations is hampered by the enormous variation in characteristic lengths, from the cell size (about one cm) to the charge region (100 pm in the binary solution experiments with cell potentials of several volts), to the double layer (100 mn). Bazant treated the full dynamic problem, rather than a static concentration profile, and found a wave solution for transport in the bulk solution [42], The ion-transport equations are taken together with Poisson s equation. The result is a singular perturbative problem with the small parameter A. 

The zero-order solution reproduces the transport equations for an electroneutral solution. At length scales where A is close to unity, space charges become significant, and the transport equations can be expanded in powers of A. The concentration and... 

Barkey, Tobias and Muller formulated the stability analysis for deposition from well-supported solution in the Tafel regime at constant current [48], They used dilute-solution theory to solve the transport equations in a Nernst diffusion layer of thickness S. The concentration and electrostatic potential are given in this approximation... 

The motions of the individual fluid parcels may be overlooked in favor of a more global, or Eulerian, description. In the case of single-phase systems, convective transport equations for scalar quantities are widely used for calculating the spatial distributions in species concentrations and/or temperature. Chemical reactions may be taken into account in these scalar transport equations by means of source or sink terms comprising chemical rate expressions. The pertinent transport equations run as... 

These convective transport equations for heat and species have a similar structure as the NS equations and therefore can easily be solved by the same solver simultaneously with the velocity field. As a matter of fact, they are much simpler to solve than the NS equations since they are linear and do not involve the solution of a pressure term via the continuity equation. In addition, the usual assumption is that spatial or temporal variations in species concentration and temperature do not affect the turbulent-flow field (another example of oneway coupling). 

In whichever approach, the common denominator of most operations in stirred vessels is the common notion that the rate e of dissipation of turbulent kinetic energy is a reliable measure for the effect of the turbulent-flow characteristics on the operations of interest such as carrying out chemical reactions, suspending solids, or dispersing bubbles. As this e may be conceived as a concentration of a passive tracer, i.e., in terms of W/kg rather than of m2/s3, the spatial variations in e may be calculated by means of a usual transport equation. 

Hollander (2002) and Hollander et al. (2001 a,b, 2003) studied agglomeration in a stirred vessel by adding a single transport equation for the particle number concentration mQ (actually, the first moment of the particle size distribution)... 

The acid-base reaction is a simple example of using the mixture fraction to express the reactant concentrations in the limit where the chemistry is much faster than the mixing time scales. This idea can be easily generalized to the case of multiple fast reactions, which is known as the equilibrium-chemistry limit. If we denote the vector of reactant concentrations by and assume that it obeys a transport equation of the form... 

The example reactions considered in this section all have the property that the number of reactions is less than or equal to the number of chemical species. Thus, they are examples of so-called simple chemistry (Fox, 2003) for which it is always possible to rewrite the transport equations in terms of the mixture fraction and a set of reaction-progress variables where each reaction-progress variablereaction-progress variable —> depends on only one reaction. For chemical mechanisms where the number of reactions is larger than the number of species, it is still possible to decompose the concentration vector into three subspaces (i) conserved-constant scalars (whose values are null everywhere), (ii) a mixture-fraction vector, and (iii) a reaction-progress vector. Nevertheless, most commercial CFD codes do not use such decompositions and, instead, solve directly for the mass fractions of the chemical species. We will thus look next at methods for treating detailed chemistry expressed in terms of a set of elementary reaction steps, a thermodynamic database for the species, and chemical rate expressions for each reaction step (Fox, 2003). 

As a first example of a CFD model for fine-particle production, we will consider a turbulent reacting flow that can be described by a species concentration vector c. The microscopic transport equation for the concentrations is assumed to have the standard form as follows ... 

To proceed further, this expression and Eq. (99) must be averaged to find the CFD transport equations for the species concentrations and the moments. 

Rendering a transport equation in finite difference form is a straightforward and well known process (e.g., Peaceman, 1977 Smith, 1986). The derivatives of C in time and space are replaced with finite difference equivalents. The resulting difference equation written at a nodal block (7, J) now includes concentration... 

The classical electrochemical methods are based on the simultaneous measurement of current and electrode potential. In simple cases the measured current is proportional to the rate of an electrochemical reaction. However, generally the concentrations of the reacting species at the interface are different from those in the bulk, since they are depleted or accumulated during the course of the reaction. So one must determine the interfacial concentrations. There axe two principal ways of doing this. In the first class of methods one of the two variables, either the potential or the current, is kept constant or varied in a simple manner, the other variable is measured, and the surface concentrations are calculated by solving the transport equations under the conditions applied. In the simplest variant the overpotential or the current is stepped from zero to a constant value the transient of the other variable is recorded and extrapolated back to the time at which the step was applied, when the interfacial concentrations were not yet depleted. In the other class of method the transport of the reacting species is enhanced by convection. If the geometry of the system is sufficiently simple, the mass transport equations can be solved, and the surface concentrations calculated. 

Because die outlet concentrations will not depend on it, micromixing between duid particles can be neglected. The reader can verify this statement by showing that die micromixing term in the poorly micromixed CSTR and the poorly micromixed PFR falls out when die mean outlet concentration is computed for a first-order chemical reaction. More generally, one can show that die chemical source term appears in closed form in die transport equation for die scalar means. 

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