Model scalar spectrum

As in Section 2.1 for the turbulent energy spectrum, a model scalar energy spectrum can be developed to describe lop(n). However, one must account for the effect of the Schmidt number. For Sc 1, the scalar-dissipation wavenumbers, defined by19 

Note that as Re/, goes to infinity with Sc constant, both the turbulent energy spectrum and the scalar energy spectrum will be dominated by the energy-containing and inertial/inertial-convective sub-ranges. Thus, in this limit, the characteristic time scale for scalar variance dissipation defined by (3.55) becomes 

The form of the scalar energy spectrum for larger wavenumbers will depend on the Schmidt number. Considering first the case where Sc 1, the range of wavenumbers between kc2 and kdi is referred to as the inertial-diffusive sub-range (Batchelor et al. 1959). Note that this range can exist only for Schmidt numbers less than Sqa, where 

19 We have defined two diffusion cut-off wavenumbers in terms of kdi and Krj in order to be consistent with the model turbulent energy spectrum introduced in Chapter 2. 

The form of the scalar energy spectrum in the inertial-diffusive sub-range can be found starting from the Navier-Stokes equation (see McComb (1990) for details) to be 

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To determine how the scalar time scale defined in Eq. (15) is related to the turbulence integral time scale given in Table I, we can introduce a normalized model scalar energy spectrum (Fox, 2003) as follows ... 

In Fig. 2, the normalized model scalar energy spectrum is plotted for a fixed Reynolds number (ReL = 104) and a range of Schmidt numbers. In Fig. 3, it is shown for Sc = 1000 and a range of Reynolds numbers. The reader interested in the meaning of the different slopes observed in the scalar spectrum can consult Fox (2003). By definition, the ratio of the time scales is equal to the area under the normalized scalar energy spectrum as follows ... 

A model scalar energy spectrum can be developed by combining the various theoretical spectra introduced above with appropriately defined cut-off functions and exponents ... 

Figure 3.12. Model scalar energy spectra at Rk = 500 normalized by the integral scales. The velocity energy spectrum is shown as a dotted line for comparison. The Schmidt numbers range from Sc = 10 4 to Sc = 104 in powers of 102.

Having defined the model scalar energy spectrum, it can now be used to compute the scalar mixing time as a function of Sc and Rk. In the turbulent mixing literature, the scalar mixing time is usually reported in a dimensionless form referred to as the mechanical-to-scalar time-scale ratio R defined by... 

In Fig. 3.14, the mechanical-to-scalar time-scale ratio computed from the model scalar energy spectrum is plotted as a function of the Schmidt number at various Reynolds numbers. Consistent with (3.15), p. 61, for 1 Sc the mechanical-to-scalar time-scale ratio decreases with increasing Schmidt number as ln(Sc). Likewise, the scalar integral scale can be computed from the model spectrum. The ratio L Lu is plotted in Fig. 3.15, where it can be seen that it approaches unity at high Reynolds numbers. 

The model scalar energy spectrum was derived for the limiting case of a fully developed scalar spectrum. As mentioned at the end of Section 3.1, in many applications the scalar energy spectrum cannot be assumed to be in spectral equilibrium. This implies that the mechanical-to-scalar time-scale ratio will depend on how the scalar spectrum was initialized, i.e., on E (k. 0). In order to compute R for non-equilibrium scalar mixing, we can make use of models based on the scalar spectral transport equation described below. 

Krt < k scalar spectral transport time scale defined in terms of the velocity spectrum (e.g., rst). 

The initial conditions for (

model predictions with four different initial conditions are shown in... 

A key assumption in deriving the SR model (as well as earlier spectral models see Batchelor (1959), Saffman (1963), Kraichnan (1968), and Kraichnan (1974)) is that the transfer spectrum is a linear operator with respect to the scalar spectrum (e.g., a linear convection-diffusion model) which has a characteristic time constant that depends only on the velocity spectrum. The linearity assumption (which is consistent with the linear form of (A.l)) ensures not only that the scalar transfer spectra are conservative, but also that if Scap = Scr in (A.4), then Eap ic, t) = Eyy k, t) for all t when it is true for t = 0. In the SR model, the linearity assumption implies that the forward and backscatter rate constants (defined below) have the same form for both the variance and covariance spectra, and that for the covariance spectrum the rate constants depend on the molecular diffusivities only through Scap (i.e., not independently on Sc or Sep). 

P(j+i)j for / = 1— 1 to be independent of Sc. This is the assumption employed in the SR model, but it can be validated (and modified) using DNS data for the scalar spectrum and the scalar-scalar transfer function. The linearity assumption discussed earlier implies that the rate constants will be unchanged (for the same Reynolds and Schmidt numbers) when they are computed using the scalar-covariance transfer spectrum. 

The model system is a periodic box of arbitrary unit side length. A linear cutoff N = 8 in the frequency spectrum of the Fourier decomposition corresponds to a minimal characteristic length A = 0.125 for the scalar fields investigated systems have goal curvatures Co chosen from the set 0.1,0.2,0.5,1,5,10. ... 

In a RANS simulation of scalar mixing, a model for i ,/, must be supplied to compute (4>a). In fully developed turbulence, t,p can be related to tu by considering the scalar energy spectrum, as first done by Corrsin (1964). 

As discussed in Section 2.1, in high-Reynolds-number turbulent flows the scalar dissipation rate is equal to the rate of energy transfer through the inertial range of the turbulence energy spectrum. The usual modeling approach is thus to use a transport equation for the transfer rate instead of the detailed balance equation for the dissipation rate derived from (1.27). Nevertheless, in order to understand better the small-scale physical phenomena that determine e, we will derive its transport equation starting from (2.99). 

As seen in Chapter 2 for turbulent flow, the length-scale information needed to describe a homogeneous scalar field is contained in the scalar energy spectrum E k, t), which we will look at in some detail in Section 3.2. However, in order to gain valuable intuition into the essential physics of scalar mixing, we will look first at the relevant length scales of a turbulent scalar field, and we develop a simple phenomenological model valid for fully developed, statistically stationary turbulent flow. Readers interested in the detailed structure of the scalar fields in turbulent flow should have a look at the remarkable experimental data reported in Dahm et al. (1991), Buch and Dahm (1996) and Buch and Dahm (1998). 

In general, the scalar Taylor microscale will be a function of the Schmidt number. However, for fully developed turbulent flows,18 l.,p L and /, Sc 1/2Xg. Thus, a model for non-equilibrium scalar mixing could be formulated in terms of a dynamic model for Xassociated with working in terms of the scalar spatial correlation function, a simpler approach is to work with the scalar energy spectrum defined next. 

In general, r4 must be computed from a dynamic model for Hfle. /). However, for fully developed scalar fields (equilibrium mixing), the mixing time can be approximated from a model spectrum for ( c). 

In many reacting flows, the reactants are introduced into the reactor with an integral scale L that is significantly different from the turbulence integral scale Lu. For example, in a CSTR, Lu is determined primarily by the actions of the impeller. However, is fixed by the feed tube diameter and feed flow rate. Thus, near the feed point the scalar energy spectrum will not be in equilibrium with the velocity spectrum. A relaxation period of duration on the order of xu is required before equilibrium is attained. In a reacting flow, because the relaxation period is relatively long, most of the fast chemical reactions can occur before the equilibrium model, (4.93), is applicable. 

Figure 4.9. Sketch of CSTR representation of the SR model for 1 < Sc. Each wavenumber band is assumed to be well mixed in the sense that it can be represented by a single variable

The terms involving y in the SR model equations correspond to the fraction of the scalar-variance production that falls into a particular wavenumber band. In principle, yn could be found from the scalar-flux spectrum (Fox 1999). Instead, it is convenient to use a self-similarity hypothesis that states that for Sc = 1 at spectral equilibrium the fraction of scalar variance that lies in a particular wavenumber band will be independent of V. Applying this hypothesis to (4.103)-(4.106) yields 31... 

Gap is the corresponding scalar-covariance source term, and Tap is the scalar-covariance transfer spectrum. In the following, we will relate the SR model for the scalar variance to (A.2) however, analogous expressions can be derived for the scalar covariance from (A.4) by following the same procedure. 

In the present version of the SR model, the fractions y, and yn are assumed to be time-independent functions of Rei and Sc. Likewise, the scalar-variance source term Va is closed with a gradient-diffusion model. The SR model could thus be further refined (with increased computational expense) by including an explicit model for the scalar-flux spectrum. 

The microwave source used in this study was a microwave network analyzer model IFR 6845 shown in Fig. 15.2b (Microwave network analyzer). Integrated into this single instrument is a synthesized source, a three-input scalar analyzer, and a synthesized spectrum analyzer. Complete engineering details of this equipment is beyond the scope of this document, but the basic function of this instrument is to generate a constant... 

In chemical shift calculations for acylium ions, it was not necessary to model the ionic lattice to obtain accurate values. These ions have tetravalent carbons with no formally empty orbitals, as verified by natural bond orbital calculations (89). Shift calculations for simple carbenium ions with formally empty orbitals may require treatment of the medium. We prepared the isopropyl cation by the adsorption of 2-bromopropane-2-13C onto frozen SbF5 at 223 K and obtained a 13C CP/MAS spectrum at 83 K (53). Analysis of the spinning sidebands yielded experimental values of = 497 ppm, 822 = 385 ppm, and (%3 = 77 ppm. The isotropic 13C shift, 320 ppm, is within 1 ppm of the value in magic acid solution (17). Other NMR evidence includes dipolar dephasing experiments and observation at higher temperature of a scalar doublet ( c-h = 165 Hz) for the cation center. 

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