Axially-dispersed plug flow conditions

Comparison of solutions of the axially dispersed plug flow model for different boundary conditions... 

As a result, there is a jump discontinuity in the temperature at Z=0. The condition is analogous to the Danckwerts boimdary condition for the inlet of an axially dispersed plug-flow reactor. At the exit of the honeycomb, the usual zero gradient is imposed, i.e. 

The solution of Eq. (173) poses a rather formidable task in general. Thus the dispersed plug-flow model has not been as extensively studied as the axial-dispersed plug-flow model. Actually, if there are no initial radial gradients in C, the radial terms will be identically zero, and Eq. (173) will reduce to the simpler Eq. (167). Thus for a simple isothermal reactor, the dispersed plug flow model is not useful. Its greatest use is for either nonisothermal reactions with radial temperature gradients or tube wall catalysed reactions. Of course, if the reactants were not introduced uniformly across a plane the model could be used, but this would not be a common practice. Paneth and Herzfeld (P2) have used this model for a first order wall catalysed reaction. The boundary conditions used were the same as those discussed for tracer measurements for radial dispersion coefficients in Section II,C,3,b, except that at the wall. 

The pattern of flow through a packed adsorbent bed can generally be described by the axial dispersed plug flow model. To predict the dynamic response of the column therefore requires the simultaneous solution, subject to the appropriate initial and boundary conditions, of the differential mass balance equations for an element of the column,... 

Beste et al. [104] compared the results obtained with the SMB and the TMB models, using numerical solutions. All the models used assumed axially dispersed plug flow, the linear driving force model for the mass transfer kinetics, and non-linear competitive isotherms. The coupled partial differential equations of the SMB model were transformed with the method of lines [105] into a set of ordinary differential equations. This system of equations was solved with a conventional set of initial and boundary conditions, using the commercially available solver SPEEDUP. Eor the TMB model, the method of orthogonal collocation was used to transfer the differential equations and the boimdary conditions into a set of non-linear algebraic equations which were solved numerically with the Newton-Raphson algorithm. 

Concerning the hydrodynamics and the dimensioning of the test reactor, some rules of thumb are a valuable aid for the experimentalist. It is important that the reactor is operated under plug-flow conditions in order to avoid axial dispersion and diffusion limitation phenomena. Again, it has to be made clear that in many cases testing of monolithic bodies such as metal gauzes, foam ceramics, or monoliths used for environmental catalysis, often needs to be performed in the laminar flow regime. 

The importance of dispersion and its influence on flow pattern and conversion in homogeneous reactors has already been studied in Chapter 2. The role of dispersion, both axial and radial, in packed bed reactors will now be considered. A general account of the nature of dispersion in packed beds, together with details of experimental results and their correlation, has already been given in Volume 2, Chapter 4. Those features which have a significant effect on the behaviour of packed bed reactors will now be summarised. The equation for the material balance in a reactor will then be obtained for the case where plug flow conditions are modified by the effects of axial dispersion. Following this, the effect of simultaneous axial and radial dispersion on the non-isothermal operation of a packed bed reactor will be discussed. 

Both the tank in series (TIS) and the dispersion plug flow (DPF) models require tracer tests for their accurate determination. However, the TIS model is relatively simple mathematically and thus can be used with any kinetics. Also, it can be extended to any configuration of compartments with or without recycle. The DPF axial dispersion model is complex and therefore gives significantly different results for different choices of boundary conditions. 

If the flow regime in the reactor has some mixing and/or dispersion and deviates slightly from plug flow conditions, then the mass balance can account for this with an axial dispersion model, a one-parameter model/ The material balance is shown below in Eq. (7). 

The H-Oil reactor (Fig. 21) is rather unique and is called an ebullated bed catalytic reactor. A recycle pump, located either internally or externally, circulates the reactor fluids down through a central downcomer and then upward through a distributor plate and into the ebullated catalyst bed. The reactor is usually well insulated and operated adiabatically. Frequently, the reactor-mixing pattern is defined as backmixed, but this is not strictly true. A better description of the flow pattern is dispersed plug flow with recycle. Thus, the reactor equations for the axial dispersion model are modified appropriately to account for recycle conditions. 

Measure the incremental conversion of ethanol per mass of catalyst and calculate the initial reactant product conversion rate with units of moles per area per time as a function of total pressure at the reactor inlet. One calculates this initial rate of conversion of ethanol to products via a differential material balance, unique to gas-phase packed catalytic tubular reactors that operate under plug-flow conditions at high-mass-transfer Peclet numbers. Since axial dispersion in the packed bed is insignificant. 

Numerical solutions to the coupled heat and mass balance equations have been obtained for both isothermal and adiabatic two- and three-transition systems but for more complex systems only equilibrium theory solutions have so far been obtained. In the application of equilibrium theory a considerable simplification becomes possible if axial dispersion is neglected and the plug flow assumption has therefore been widely adopted. Under plug flow conditions the differential mass and heat balance equations assume the hyperbolic form of the kinematic wave equations and solutions may be obtained in a straightforward manner by the method of characteristics. In a numerical simulation the inclusion of axial dispersion causes no real problem. Indeed, since axial dispersion tends to smooth the concentration profiles the numerical solution may become somewhat easier when the axial dispersion terra is included. Nevertheless, the great majority of numerical solutions obtained so far have assumed plug flow. 

Figure El2.2a shows the boundary conditions X0 and Yx. Given values for m, Nox, and the length of the column, a solution for Y0 in terms of vx and vY can be obtained Xx is related to Y0 and F via a material balance Xx = 1 - (Yq/F). Hartland and Meck-lenburgh (1975) list the solutions for the plug flow model (and also the axial dispersion model) for a linear equilibrium relationship, in terms of F ...

Thus, we recover the Danckwerts model only if no distinction is made between the cup-mixing and spatial average concentrations (with this assumption, the effective axial dispersion coefficient is given by the Taylor-Aris theory). This derivation also shows that the concept of an effective axial dispersion coefficient and lumping the macro- and micromixing effects into one parameter is valid only at steady-state, constant inlet conditions and when the deviation from plug flow is small. [Remark Even with all these constraints, the error in the model because of the assumption (cj) — cym is of the same order of magnitude as the dispersion effect ]... 

To this author s knowledge, no data on three-phase stirred columns are available. Preliminary observations indicate that the axial dispersion in the gas phase is considerably reduced by the presence of solid particles. Under certain conditions, even for a very low L/dc (where L is the length and dc the diameter of the stirred column) the gas phase may move essentially in plug flow. 

---