Taylor dispersion coefficient

Shape factors of a different sort are involved in the Taylor dispersion problem. With parabolic flow at mean speed U through a cylindrical tube of radius R, Taylor found that the longitudinal dispersion of a solute from the interaction of the flow distribution and transverse diffusion was R2U2/48D. The number 48 depends on both the geometry of the cross-section and the flow profile. If, however, we insist that the flow should be laminar, then the geometry of the cross-section determines the flow and hence the numerical constant in the Taylor dispersion coefficient. 

In Reprint C in Chapter 7, the behavior of a tracer pulse in a stream flowing through a packed bed and exchanging heat or matter with the particles is studied. It is shown that the diffusion in the particles makes a contribution to the apparent dispersion coefficient that is proportional to v2 fi/D. The constant of proportionality has one part that is a function of the kinematic wave speed fi, but otherwise only a factor that depends on the shape of the particle (see p. 145 and in equation (42) ignore all except the last term and even the suffixes of this e, being unsuitable as special notation, will be replaced by A. e is defined in the middle of p. 143 of Chapter 7). In this equation, we should not be surprised to find a term of the same form as the Taylor dispersion coefficient, for it is diffusion across streams of different speeds that causes the dispersion in that case just as it is the diffusion into stationary particles that causes the dispersion in this.7 What is surprising is that the isothermal diffusion and reaction equation should come up, for A is defined by... 

Taylor dispersion coefficient Activation energy (cal/gmol)... 

The condition (3 235) implies that aPe for Pe 1. We have seen that the coefficient m must be positive for the Taylor analysis to apply, but it is otherwise undetermined. In a full matched asymptotic analysis, it would be obtained by matching with the solutions for smaller 7, but these solutions are not available here. Fortunately, the final result for the Taylor dispersion coefficient and the governing equation for (0) are independent of m provided only that it is positive so that the analysis is valid. We can now determine 9 by solving either (3-231) or (3-236). We choose to solve Eq. (3-236) for 9. Because 3 (9)/dz is independent of r, we can simply integrate twice with respect to r. The general solution is ... 

This is frequently termed the Taylor dispersion coefficient. 

The corresponding modification to the Taylor dispersion coefficient, which takes into account both the excluded volume and wall effects, is given by... 

The problem is to determine the effect of the excluded volume of particles of radius on the Taylor dispersion coefficient (Eq. 4.6.27). In so doing, note that in the dispersion coefficient, a should be replaced hy a - a, and U should not represent the average translational speed but rather the magnitude of the difference between the largest and smallest velocities in the flow field. The largest particle velocity remains equal to the centerline solvent velocity but due to the excluded volume, the smallest velocity is not zero but is the value of the solvent velocity at a distance from the wall. This represents a reduction in the velocity difference and, therefore, in the dispersion coefficient. Accordingly, U should be multi-... 

Optimization of TGF preconcentration and (static) resolution is similar to other sample preconcentration methods. As described earlier, the contribution of molecular diffusion to the total peak variance scales s l/E, while the Taylor dispersion coefficient scales as Ul and therefore, E. Sample... 

In a recent publication [22] we reported the implementation of dispersion coefficients for first hyperpolarizabiiities based on the coupled cluster quadratic response approach. In the present publication we extend the work of Refs. [22-24] to the analytic calculation of dispersion coefficients for cubic response properties, i.e. second hyperpolarizabiiities. We define the dispersion coefficients by a Taylor expansion of the cubic response function in its frequency arguments. Hence, this approach is... 

In the next section we derive the Taylor expansion of the coupled cluster cubic response function in its frequency arguments and the equations for the required expansions of the cluster amplitude and Lagrangian multiplier responses. For the experimentally important isotropic averages 7, 7i and yx we give explicit expressions for the A and higher-order coefficients in terms of the coefficients of the Taylor series. In Sec. 4 we present an application of the developed approach to the second hyperpolarizability of the methane molecule. We test the convergence of the hyperpolarizabilities with respect to the order of the expansion and investigate the sensitivity of the coefficients to basis sets and correlation treatment. The results are compared with dispersion coefficients derived by least square fits to experimental hyperpolarizability data or to pointwise calculated hyperpolarizabilities of other ab inito studies. 

A similar convergence is found for the third harmonic generation process at the lower of the two frequencies, 671.5 nm. At the higher frequency, 476.5 nm, the Taylor approximations for the third harmonic generation hyperpolarizability converge only very slowly, even with a tenth-order Taylor approximation a one-percent accuracy is not obtained. This accuracy, however, is still achieved with a [1,2] Fade approximant calculated from the dispersion coefficients up to sixth order. 

Taylor (T2) and Westhaver (W5, W6, W7) have discussed the relationship between dispersion models. For laminar flow in round empty tubes, they showed that dispersion due to molecular diffusion and radial velocity variations may be represented by flow with a flat velocity profile equal to the actual mean velocity, u, and with an effective axial dispersion coefficient Djf = However, in the analysis, Taylor... 

Taylor (T4, T6), in two other articles, used the dispersed plug-flow model for turbulent flow, and Aris s treatment also included this case. Taylor and Aris both conclude that an effective axial-dispersion coefficient Dzf can again be used and that this coefficient is now a function of the well known Fanning friction factor. Tichacek et al. (T8) also considered turbulent flow, and found that Dl was quite sensitive to variations in the velocity profile. Aris further used the method for dispersion in a two-phase system with transfer between phases (All), for dispersion in flow through a tube with stagnant pockets (AlO), and for flow with a pulsating velocity (A12). Hawthorn (H7) considered the temperature effect of viscosity on dispersion coefficients he found that they can be altered by a factor of two in laminar flow, but that there is little effect for fully developed turbulent flow. Elder (E4) has considered open-channel flow and diffusion of discrete particles. Bischoff and Levenspiel (B14) extended Aris s theory to include a linear rate process, and used the results to construct comprehensive correlations of dispersion coefficients. 

With turbulence, there is an effective axial dispersion coefficient 3, called Aris Taylor diffusion, which is driven by the turbulent eddies,... 

The second equality in equation (6.28) is a definition of longitudinal dispersion coefficient, Dl- Taylor (1953) assumed that some of the terms in equation (6.28) would cancel and that longitudinal convective transport would achieve a balance with transverse diffusive transport. He then solved the second equality in equation (6.28), for a fully developed tubular fiow, resulting in the relation... 

Tracer Determination of Longitudinal Dispersion Coefficient in Rivers. Tracers are generally used to determine longitudinal dispersion coefficient in rivers. Some distance is required, however, before the lateral turbulent diffusion is balanced by longitudinal convection, simitar to Taylor s (1953) analysis of dispersion in a laminar flow. This transport balancing distance, x is given by the equation... 

As already said, Taylor s effective model contains a contribution in the effective diffusion coefficient, which is proportional to the square of the transversal Peclet number. Frequently this term is more important than the original molecular diffusion. After his work, it is called Taylor s dispersion coefficient and it is generally accepted and used in chemical engineering numerical simulations. For the practical applications we refer to the classical paper (Rubin, 1983) by Rubin. The mathematical study of the models from Rubin (1983) was undertaken in Friedman and Knabner (1992). 

Sir Geoffrey Taylor has recently discussed the dispersion of a solute under the simultaneous action of molecular diffusion and variation of the velocity of the solvent. A new basis for his analysis is presented here which removes the restrictions imposed on some of the parameters at the expense of describing the distribution of solute in terms of its moments in the direction of flow. It is shown that the rate of growth of the variance is proportional to the sum of the molecular diffusion coefficient, D, and the Taylor diffusion coefficient ko2U2/D, where U is the mean velocity and a is a dimension characteristic of the cross-section of the tube. An expression for k is given in the most general case, and it is shown that a finite distribution of solute tends to become normally distributed. 

It is well known that for a given pressure drop, the flow is greater in a circular tube than in an elliptical one of the same area, and if in the Taylor diffusion coefficient a2 is replaced by the area of cross-section (na2 for the circle and nab for the ellipse) the constant k is least for e = 0. Thus the dispersion in a circular tube is less than in an elliptical tube of the same area. 

This shows that the mean of the temperature wave moves with the kinematic wave velocity and that an apparent diffusion coefficient may be defined to describe the dispersion. This coefficient is the sum of the diffusion coefficients which would be obtained if each effect were considered independently. Such an additivity has been demonstrated by the author for the molecular and Taylor diffusion coefficients elsewhere (Aris 1956) and is assumed in a paper by Klinkenberg and others (van Deemter, Zuiderweg Klinkenberg 1956) in their analysis of the dispersion of a chromatogram. 

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