Diffusive flux vector

The generic equations of balance are statements of truth, which is a priori self-evident and which must apply to all continuum materials regardless of their individual characteristics. Constitutive relations relate diffusive flux vectors to concentration gradients through phenomenological parameters called transport coefficients. They describe the detailed response characteristics of specific materials. There are seven generic principles (1) conservation of mass, (2) balance of linear momentum, (3) balance of ro-... 

If the generic property mass density p of a material, then Eq. (2) represents the generic principle of conservation of mass. The diffusive flux vector is equal to 0 and also rp equals 0. Thus, the statement of conservation of mass, or equation of continuity, is... 

The generic balance relations and the derived relations presented in the preceding section contain various diffusion flux tensors. Although the equation of continuity as presented does not contain a diffusion flux vector, were it to have been written for a multicomponent mixture, there would have been such a diffusion flux vector. Before any of these equations can be solved for the various field quantities, the diffusion fluxes must be related to gradients in the field potentials . 

The turbulent viscosity i/j is determined using the WALE model [330], similar to the Smagorinski model, but with an improved behavior near solid boundaries. Similarly, a subgrid-scale diffusive flux vector Jfor species Jk = p (uYfc — uYfc) and a subgrid-scale heat flux vector if = p(uE — uE) appear and are modeled following the same expressions as in section 10.1, using filtered quantities and introducing a turbulent diffusivity = Pt/Sc], and a thermal diffusivity Aj = ptCp/Pr. The turbulent Schmidt and Prandtl numbers are fixed to 1 and 0.9 respectively. 

Equation (2.3-3) can be generalized to relate the diffusive flux vector to (he gradient of composition in three coordinate directions. Cussler has recently summarized the historical backgroattd to the development of Pick s Law. In fact, there have been a number of ambiguities or inconsistencies in the use of rate expressions for diffusion primarily arising from an unelenr view of the definitions used in a particular analysis. 

Rotational and translational flux vectors (323)-(324) Convective and diffusive flux vectors (325), (327) Permeability of isotropic porous medium (173) thermal conductivity (303) Boltzmann constant (316)... 

We assume that the inverse of [/ ] exists in order to express the column matrix of diffusive flux vectors in the form... 

Here, p is mass density and yk th mass fraction, t is time and div the divergence operator v is local mass flow velocity (vector) and jk the it-th molecular diffusion flux vector, added to the term pykV representing the convection of particles Ck by the motion of a material element as a whole. So the instantaneous local change (increase) of the Ck-concentration (mass per unit volume) equals minus the amount that escapes from a volume element (the divergence term) plus the amount produced by chemical reactions. Physically, the balance makes sense if we know how the flux jk depends on the gradients (most simply by Pick s law), and how the rates of possible reactions depend on the local state of the element. If also the latter information is available then the balance takes the form of convective diffusion equation, possibly with chemical reactions. [If we have no information on the reaction rates, the w -terms can be eliminated from Eqs. (C.2) by an algebraic transformation in the same manner as in Chapter 4 indeed, it is sufficient to substitute for W, in (4.3.2) and to define the components of column vector n as follows from (C.2).] Observe finally that we have... 

The Diffusive Flux Vectors for a Mixture of Chemical Species... 

By inserting this expression for flux vectors, Hirschfelder et al. [55] obtained expressions for the mass diffusion vector, the pressure tensor, and the heat flux vector. In particular, the integral for the diffusion flux vector can be expressed in terms of [Pg.270]

It is informative to express the overall binary mass diffusion flux (2.424) as a linear sum of the four terms [7, 9, 55, 132] and examine the importance of each of the mass diffusion flux vector contributions in chemical reactor analysis ... 

These are the flux relations associated with the dusty gas model. As explained above, they would be expected to predict only the diffusive contributions to the flux vectors, so they should be compared with equations (2.25) obtained from simple momentum transfer arguments. Equations (3,16) are then seen to be just the obvious vector generalization of the scalar equations (2.25), so the dusty gas model provides justification for the simple procedure of adding momentum transfer rates. 

Ac Che limic of Knudsen screaming Che flux relacions (5.25) determine Che fluxes explicitly in terms of partial pressure gradients, but the general flux relacions (5.4) are implicic in Che fluxes and cheir solution does not have an algebraically simple explicit form for an arbitrary number of components. It is therefore important to identify the few cases in which reasonably compact explicit solutions can be obtained. For a binary mixture, simultaneous solution of the two flux equations (5.4) is straightforward, and the result is important because most experimental work on flow and diffusion in porous media has been confined to pure substances or binary mixtures. The flux vectors are found to be given by... 

This is an explicit solution of the Stefan-Maxwell equations for the diffusion fluxes. The species flux vectors are then given by... 

Che pore size distribution and Che pore geometry. Condition (iil). For isobaric diffusion in a binary mixture Che flux vectors of Che two species must satisfy Graham s relation... 

At the opposite limit of bulk diffusion control and high permeability, all flux models are required to he consistent with the Stefan-Maxwell relations (8.3). Since only (n-1) of these are independent, they are insufficient to determine all the flux vectors, and they permit the problem to be formulated in closed form only when they can be supplemented by the stoichiometric relations (11.3). At this limit, therefore, attention must be restricted from the beginning to those simple pellet shapes for ich equations (11.3) have been justified. Furthermore, since the permeability tends to infininty, pressure gradients within the pellet tend to zero and... 

When developing the dusty gas model flux relations in Chapter 3, the thermal diffusion contributions to the flux vectors, defined by equations (3.2), were omitted. The effect of retaining these terms is to augment the final flux relations (5.4) by terms proportional to the temperature gradient. Specifically, equations (5.4) are replaced by the following generalization... 

Since in most situations the perturbation quantities (V and c() are not explicitly resolved, it is not possible to evaluate the turbulent flux term directly. Instead, it must be related to the distribution of averaged quantities - a process referred to as parameterization. A common assumption is to relate the turbulent flux vector to the gradient of the averaged tracer distribution, which is analogous with the molecular diffusion expression. Equation (35). 

Laminar flow reactors have concentration and temperature gradients in both the radial and axial directions. The radial gradient normally has a much greater effect on reactor performance. The diffusive flux is a vector that depends on concentration gradients. The flux in the axial direction is... 

Transient computations of methane, ethane, and propane gas-jet diffusion flames in Ig and Oy have been performed using the numerical code developed by Katta [30,46], with a detailed reaction mechanism [47,48] (33 species and 112 elementary steps) for these fuels and a simple radiation heat-loss model [49], for the high fuel-flow condition. The results for methane and ethane can be obtained from earlier studies [44,45]. For propane. Figure 8.1.5 shows the calculated flame structure in Ig and Og. The variables on the right half include, velocity vectors (v), isotherms (T), total heat-release rate ( j), and the local equivalence ratio (( locai) while on the left half the total molar flux vectors of atomic hydrogen (M ), oxygen mole fraction oxygen consumption rate... 

The flux vector accounts for mass transport by both convection (i.e., blood flow, interstitial fluid flow) and conduction (i.e., molecular diffusion), whereas S describes membrane transport between adjacent compartments and irreversible elimination processes. For the three-subcompartment organ model presented in Figure 2, with concentration both space- and time-dependent, the conservation equations are... 

The mass flux vector is also the sum of four components j (l), the mass flux due to a concentration gradient (ordinary diffusion) jYp), the mass flux associated with a gradient in the pressure (pressure diffusion) ji(F), the mass flux associated with differences in external forces (forced diffusion) and j,-(r), the mass flux due to a temperature gradient (the thermal diffusion effect or the Soret effect). The mass flux contributions may then be summarized ... 

It should be emphasized that the flux vectors for which expressions have been given in Eqs. (28) through (36) are all defined here as fluxes with respect to the mass average velocity. Not all authors use this convention, and considerable confusion has resulted in the definition of the energy flux and the mass flux. Mass fluxes with respect to molar average velocity, stationary coordinates, and the velocity of one component (such as the solvent, for example) are all to be found in the literature on diffusional processes. Research workers in the field of diffusion should be meticulous in specifying the frame of reference for fluxes used in writing up their research work. In the next section this important matter is considered in detail for two-component systems. 

In general, the diffusive mass-flux vector (kg/m2 s) is given by... 

Here D km represents a mixture-averaged diffusion coefficient for species k relative to the rest of the multicomponent mixture. The species mass-flux vector is given in terms of the mole-fraction gradient as... 

The quantity of mass of species k that is transported diffusively across any control surface is determined by the component of the flux vector that is normal to the control-surface times the area itself,... 

---