Chemical source term first-order

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. 

Similar techniques have been employed to derive ASM models for turbulent reacting flows (Adumitroaie et al. 1997). It can be noted from (3.102) on p. 84 that the chemical source term will affect the scalar flux. For example, for a scalar involved in a first-order... 

Thus, the ASM scalar flux in a first-order reacting flow will decrease with increasing reaction rate. For higher-order reactions, the chemical source term in (3.102) will be unclosed, and its net effect on the scalar flux will be complex. For this reason, transported PDF methods offer a distinct advantage terms involving the chemical source term are closed so that its effect on the scalar flux is treated exactly. We look at these methods in Chapter 6. 

Only for an isothermal, first-order reaction where Sa = —k a will the chemical source term in (3.102) be closed, i.e., ++(<+ = h (u,(pa). Indeed, for more complex chemistry, closure of the chemical source term in the scalar-flux transport equation is a major challenge. However, note that, unlike the scalar-flux dissipation term, which involves the correlation between gradients (and hence two-point statistical information), the chemical source term is given in terms of u(x, t) and 0(x, t). Thus, given the one-point joint velocity, composition PDF /u,chemical source term is closed, and can be computed from... 

The Gaussian plume foimulations, however, use closed-form solutions of the turbulent version of Equation 5-1 subject to simplifying assumptions. Although these are not treated further here, their description is included for comparative purposes. The assumptions are reflection of species off the ground (that is, zero flux at the ground), constant value of vertical diffusion coefficient, and large distance from the source compared with lateral dimensions. This Gaussian solution to Equation 5-1 is obtained under the assumption that chemical transformation source and sink terms are all zero. In some cases, an exponential decay factor is applied for reactions that obey first-order kinetics. A typical solution (with the time-decay factor) is ... 

The mass balance equations of the traditional multicomponent rate-based model (see, e.g., Refs. 57 and 58) are written separately for each phase. In order to give a common description to all three considered RSPs (where it is possible, of course) we will use the notion of two contacting fluid phases. The first one is always the liquid phase, whereas the second fluid phase represents the gas phase for RA, the vapor phase for RD and the liquid phase for RE. Considering homogeneous chemical reactions taking place in the fluid phases, the steady-state balance equations should include the reaction source terms ... 

Harden and Shen 34). The former includes no source and sink terms for the constituents, although they could be added by other users. Due to the combined difference scheme used, such additions might require some care. The Shen and Harden model includes only first-order reactions, although this could accommodate some hazardous chemicals. In both of these models, the relative influence of Dl, the longitudinal dispersion coefficient, is small, thus minimizing concern over uncertainties in its value. 

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