Reaction-convection-diffusion

In what follows, the preceding evaluation procedure is employed in a somewhat different mode, the main objective now being to obtain expressions for the heat or mass transfer coefficient in complex situations on the basis of information available for some simpler asymptotic cases. The order-of-magnitude procedure replaces the convective diffusion equation by an algebraic equation whose coefficients are determined from exact solutions available in simpler limiting cases [13,14]. Various cases involving free convection, forced convection, mixed convection, diffusion with reaction, convective diffusion with reaction, turbulent mass transfer with chemical reaction, and unsteady heat transfer are examined to demonstrate the usefulness of this simple approach. There are, of course, cases, such as the one treated earlier, in which the constants cannot be obtained because exact solutions are not available even for simpler limiting cases. In such cases, the procedure is still useful to correlate experimental data if the constants are determined on the basis of those data. 

Example Consider the equation for convection, diffusion, and reaction in a tiihiilar reactor. 

The problem of convective diffusion toward the growing drop was solved in 1934 by Dionyz Ilkovic under certain simplifying assumptions. For reversible reactions (in the absence of activation polarization), the averaged cnrrent at the DME can be represented as... 

In order to asses the analytical aspects of the rotating electrodes we must consider the convective-diffusion processes at their bottom surface, and in view of this complex matter we shall confine ourselves to the following conditions (1) as a model of electrode process we take the completely reversible equilibrium reaction ... 

The rotating ring disk electrode can be used to study the products of the electrode reaction (Fig. 5.20). The products of the electrode reaction at the disk are carried by convective diffusion to the ring where they undergo a... 

As an alternative to film models, McNamara and Amidon [6] included convection, or mass transfer via fluid flow, into the general solid dissolution and reaction modeling scheme. The idea was to recognize that diffusion was not the only process by which mass could be transferred from the solid surface through the boundary layer [7], McNamara and Amidon constructed a set of steady-state convective diffusion continuity equations such as... 

DP McNamara, GL Amidon. Dissolution of acidic and basic compounds from the rotating disk Influence of convective diffusion and reaction. J Pharm Sci 75 858-868, 1986. 

For a number of flow situations, the mass-transfer rate can be derived directly from the equation of convective diffusion (see Table VII, Part A). The velocity profile near the electrode is known, and the equation is reduced to a simpler form by appropriate similarity transformations (N6). These well-defined flows, therefore, are being exploited increasingly by electrochemists as tools for the kinetic characterization of electrode reactions. Current distributions at, or below, the limiting current, transient mass transfer, and other aspects of these flows are amenable to analysis. Especially noteworthy are the systematic investigations conducted by Newman (review until 1973 in N7 also N9b, N9c, H6b and references in Table VII), by Daguenet and other French workers (references in Table VII), and by Matsuda (M4a-d). Here we only want to comment on the nature of the velocity profile near the electrode, and on the agreement between theory and mass-transfer experiment. 

Mooney et al. [70] investigated the effect of pH on the solubility and dissolution of ionizable drugs based on a film model with total component material balances for reactive species, proposed by Olander. McNamara and Amidon [71] developed a convective diffusion model that included the effects of ionization at the solid-liquid surface and irreversible reaction of the dissolved species in the hydrodynamic boundary layer. Jinno et al. [72], and Kasim et al. [73] investigated the combined effects of pH and surfactants on the dissolution of the ionizable, poorly water-soluble BCS Class II weak acid NSAIDs piroxicam and ketoprofen, respectively. 

In Eq. (13), r stands for the production (or consumption) of the species of interest due to a chemical reaction, while in Eq. (12) q represents the heat production, e.g., due to one of more chemical reactions. Equation (13) is often referred to as the Convection-Diffusion-Reaction (CDR) equation. 

In the first approach it is assumed, as well, that the reaction proceeds by zero-order. Since the rate term d> is not a function of concentration, the continuity equation is not required so we can deal with the more convenient energy equation. Semenov, like Mallard and Le Chatelier, examined the thermal wave as if it were made up of two parts. The unbumed gas part is a zone of no chemical reaction, and the reaction part is the zone in which the reaction and diffusion terms dominate and the convective term can be ignored. Thus, in the first zone (I), the energy equation reduces to... 

A fundamental fuel cell model consists of five principles of conservation mass, momentum, species, charge, and thermal energy. These transport equations are then coupled with electrochemical processes through source terms to describe reaction kinetics and electro-osmotic drag in the polymer electrolyte. Such convection—diffusion—source equations can be summarized in the following general form... 

In both AEA and RRA, there are inert convective-diffusive regions on the fuel and oxidizer sides of the main reaction regions of the diffusion flame. Conservation equations are written for each of the outer inert regions, and their solutions are employed as matching conditions for the solutions in the inner reaction regions. The inner structure for RRA is more complicated than that for AEA because the chemistry is more complex [53]. The inner solutions nevertheless can be developed, and matching can be achieved. The outer solutions will be summarized first, then the reaction region will be discussed. 

In the present analysis, the outer convective-diffusive zones flanking the reaction zone are treated in the Burke-Schumann limit with Lewis numbers unity. Lewis numbers different from unity are taken into account where reactions occur. These Lewis-number approximations are especially accurate for methane-air flames and would be appreciably poorer if hydrogen or higher hydrocarbons are the fuels. To achieve a formulation that is independent of the flame configuration, the mixture fraction is employed as the independent variable. The connection to physical coordinates is made through the so-called scalar dissipation rate. 

Figure 1-11 Concentration profile for (a) crystal growth controlled by interface reaction (the concentration profile is flat and does not change with time), (b) diffusive crystal growth with t2 = 4fi and = 4t2 (the profile is an error function and propagates according to (c) convective crystal growth (the profile is an exponential function and does not change with time), and (d) crystal growth controlled by both interface reaction and diffusion (both the interface concentration and the length of the profile vary).

In many processes involving reactive flows different phenomena are present at different order of magnitude. It is fairly common that transport dominates diffusion and that chemical reaction happen at different timescales than convection/diffusion. Such processes are of importance in chemical engineering, pollution studies, etc. 

The systems considered here are isothermal and at mechanical equilibrium but open to exchanges of matter. Hydrodynamic motion such as convection are not considered. Inside the volume V of Fig. 8, N chemical species may react and diffuse. The exchanges of matter with the environment are controlled through the boundary conditions maintained on the surface S. It should be emphasized that the consideration of a bounded medium is essential. In an unbounded medium, chemical reactions and diffusion are not coupled in the same way and the convergence in time toward a well-defined and asymptotic state is generally not ensured. Conversely, some regimes that exist in an unbounded medium can only be transient in bounded systems. We approximate diffusion by Fick s law, although this simplification is not essential. As a result, the concentration of chemicals Xt (i = 1,2,..., r with r sN) will obey equations of the form... 

A limiting current insensitive to changes in electrode potential and below the convective-diffusion limiting current indicates that a chemical step is rate-determining and precedes the charge transfer step in the overall electrode reaction (CE mechanism). 

Modification of the convective-diffusion equation involves addition of terms to take account of the preceding reaction. Thus, for the rotating disc electrode, we obtain... 

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