Dispersion model reactors

Analytical solutions also are possible when T is constant and m = 0, V2, or 2. More complex chemical rate equations will require numerical solutions. Such rate equations are apphed to the sizing of plug flow, CSTR, and dispersion reactor models by Ramachandran and Chaud-hari (Three-Pha.se Chemical Reactors, Gordon and Breach, 1983). 

Solutions with other chemical rate equations are in P8.03.03, and some numerical cases in P8.03.04-P8.03.06. Such rate equations can be applied to the sizing of plug flow, CSTR and dispersion reactor models. 

Figure 5.16 Different inlet/outlet configurations with corresponding boundary conditions for the one-dimensional dispersion reactor model.

Three sets of conditions have been employed in most work dealing with onedimensional dispersion reactor models. These are... 

Develop a computational procedure for the solution of the nonisothermal, onedimensional axial dispersion reactor model. 

Table 4.3 Correlations of different model parameters, determined under steady-state-operation conditions for the used extended axial dispersion reactor model.

Wei F, Wan XT, Hu YQ, Wang ZG, Yang YH, Jin Y. A pilot plant study and 2-D dispersion-reactor model for a high-density riser reactor. Chem Eng Sci, in press, 2000b. 

Atwood et al, (1989) developed a reactor model that included axial and radial mass and heat dispersions to compare the performance of laboratory... 

Axial Dispersion. Rigorous models for residence time distributions require use of the convective diffusion equation. Equation (14.19). Such solutions, either analytical or numerical, are rather difficult. Example 15.4 solved the simplest possible version of the convective diffusion equation to determine the residence time distribution of a piston flow reactor. The derivation of W t) for parabolic flow was actually equivalent to solving... 

A one-dimensional isothermal plug-flow model is used because the inner diameter of the reactor is 4 mm. Although the apparent gas flow rate is small, axial dispersion can be neglected because the catalj st is closely compacted and the concentration profile is placid. With the assumption of Langmuir adsorption, the reactor model can be formulated as. 

This example models the dynamic behaviour of an non-ideal isothermal tubular reactor in order to predict the variation of concentration, with respect to both axial distance along the reactor and flow time. Non-ideal flow in the reactor is represented by the axial dispersion flow model. The analysis is based on a simple, isothermal first-order reaction. 

Chemical Kinetics, Tank and Tubular Reactor Fundamentals, Residence Time Distributions, Multiphase Reaction Systems, Basic Reactor Types, Batch Reactor Dynamics, Semi-batch Reactors, Control and Stability of Nonisotheimal Reactors. Complex Reactions with Feeding Strategies, Liquid Phase Tubular Reactors, Gas Phase Tubular Reactors, Axial Dispersion, Unsteady State Tubular Reactor Models... 

We can characterize the mixed systems most easily in terms of the longitudinal dispersion model or in terms of the cascade of stirred tank reactors model. The maximum amount of mixing occurs for the cases where Q)L = oo or n = 1. In general, for reaction orders greater than unity, these models place a lower limit on the conversion that will be obtained in an actual reactor. The applications of these models are treated in Sections 11.2.2 and 11.2.3. 

The application of CFD to packed bed reactor modeling has usually involved the replacement of the actual packing structure with an effective continuum (Kvamsdal et al., 1999 Pedernera et al., 2003). Transport processes are then represented by lumped parameters for dispersion and heat transfer (Jakobsen... 

In this section, we apply the axial dispersion flow model (or DPF model) of Section 19.4.2 to design or assess the performance of a reactor with nonideal flow. We consider, for example, the effect of axial dispersion on the concentration profile of a species, or its fractional conversion at the reactor outlet. For simplicity, we assume steady-state, isothermal operation for a simple system of constant density reacting according to A - products. 

Nonideal tubular reactor models, inclusion of interpellet axial dispersion in,... 

The equations describing the concentration and temperature within the catalyst particles and the reactor are usually non-linear coupled ordinary differential equations and have to be solved numerically. However, it is unusual for experimental data to be of sufficient precision and extent to justify the application of such sophisticated reactor models. Uncertainties in the knowledge of effective thermal conductivities and heat transfer between gas and solid make the calculation of temperature distribution in the catalyst bed susceptible to inaccuracies, particularly in view of the pronounced effect of temperature on reaction rate. A useful approach to the preliminary design of a non-isothermal fixed bed catalytic reactor is to assume that all the resistance to heat transfer is in a thin layer of gas near the tube wall. This is a fair approximation because radial temperature profiles in packed beds are parabolic with most of the resistance to heat transfer near the tube wall. With this assumption, a one-dimensional model, which becomes quite accurate for small diameter tubes, is satisfactory for the preliminary design of reactors. Provided the ratio of the catlayst particle radius to tube length is small, dispersion of mass in the longitudinal direction may also be neglected. Finally, if heat transfer between solid cmd gas phases is accounted for implicitly by the catalyst effectiveness factor, the mass and heat conservation equations for the reactor reduce to [eqn. (62)]... 

For any more complex flow pattern we must solve the fluid mechanics to describe the fluid flow in each phase, along with the mass balances. The cases where we can still attempt to find descriptions are the nonideal reactor models considered previously in Chapter 8, where laminar flow, a series of CSTRs, a recycle TR, and dispersion in a TR allow us to modify the ideal mass-balance equations. 

A similar spatial mean velocity (bulk mean velocity) is used for the plug flow reactor model. Thus, plug flow with dispersion is a natural match, where the mixing that truly occurs in any reactor or environmental flow is modeled as dispersion. This is the model that will be applied to utilize dispersion as a mixing model. 

Another potential solution technique appropriate for the packed bed reactor model is the method of characteristics. This procedure is suitable for hyperbolic partial differential equations of the form obtained from the energy balance for the gas and catalyst and the mass balances if axial dispersion is neglected and if the radial dimension is first discretized by a technique such as orthogonal collocation. The thermal well energy balance would still require a numerical technique that is not limited to hyperbolic systems since axial conduction in the well is expected to be significant. 

LPCVD Reactor Models. First-Order Surface Reaction. The traditional horizontal-wafer-in-tube LPCVD reactor resembles a fixed-bed reactor, and recent models are very similar to heterogeneous-dispersion models for fixed-bed reactors (21,167,213). To illustrate CVD reactor modeling, this correspondence can be exploited by first considering a simple first-order surface reaction in the LPCVD reactor and then discussing complications such as complex reaction schemes, multicomponent diffusion effects, and entrance phenomena. 

Estimates of Model Parameters. The reactor models for FFB, MAT and riser include important features for translating the MAT and FFB data to steady state riser performance. A series of key parameters specific to a given zeolite and matrix component are needed for a given catalyst. Such key parameters are intrinsic cracking anc( coking activities (kj, A ), activation energies and heats of reaction (Ej, AHj), coke deactivation rate (exponents nj), and axial dispersion in the FFB unit (DA). Other feedstock dependent parameters include the inhibition constants (kHAj), the coking constants (XAj), and the axial molar expansion factor (a). 

The tank-in-series (TIS) and the dispersion plug flow (DPF) models can be adopted as reactor models once their parameters (e.g., N, Del and NPe) are known. However, these are macromixing models, which are unable to account for non-ideal mixing behavior at the microscopic level. This chapter reviews two micromixing models for evaluating the performance of a reactor— the segregrated flow model and the maximum mixedness model—and considers the effect of micromixing on conversion. 

To describe the reactor behavior, a simplified isothermal dispersed plug-flow reactor model was used. The well-known mass balance of this model for steady-state conditions can be formulated as [14, 15] ... 

In addition to these experiments, a simplified isothermal 1-D dispersed plug-flow reactor model of the membrane reactor was used to carry out theoretical studies [47]. The model used consisted of the following mass balance equations for the feed and sweep sides ... 

Most commonly, distributed parameter models are applied to describe the performance of diesel particulate traps, which are a part of the diesel engine exhaust system. Those models are one- or two-dimensional, non-isothermal plug-flow reactor models with constant convection terms, but without diffusion/dispersion terms. 

Therefore, an attempt was made to determine the kinetic reaction scheme and effective heat transfer as well as kinetic parameters from a limited number of experimental results in a single-tube reactor of industrial dimensions with side-stream analysis. The data evaluation was performed with a pseudohomo-geneous two-dimensional continuum model without axial dispersion. The model was tested for its suitability for prediction. 

Model. A difference equation for the material balance was obtained from a discrete reactor model which was devised by dividing the annulus into a two dimensional array of cells, each taken to be a well stirred batch reactor. The model supposes that axial motion of the mobile phase and bed rotation occur by instantaneous discontinuous jumps, between cells. Reaction occurs only on the solid surface, and for the reaction type A B + C used in this work, -dn /dt = K n - n n. Linear isotherms, n = BiC, were used, and while dispersion was not explicitly included, it could be simulated by adjusting the number of cells. The balance is given by Eq. 2, where subscript n is the cell index in the axial direction, and subscript m is the index in the circumferential direction. 

The rapid development of biotechnology during the 1980s provided new opportunities for the application of reaction engineering principles. In biochemical systems, reactions are catalyzed by enzymes. These biocatalysts may be dispersed in an aqueous phase or in a reverse micelle, supported on a polymeric carrier, or contained within whole cells. The reactors used are most often stirred tanks, bubble columns, or hollow fibers. If the kinetics for the enzymatic process is known, then the effects of reaction conditions and mass transfer phenomena can be analyzed quite successfully using classical reactor models. Where living cells are present, the growth of the cell mass as well as the kinetics of the desired reaction must be modeled [16, 17]. 

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