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254                            Fundamentals of Water Treatment Unit Processes: Physical, Chemical, and Biological



              r is the vector operator, a shorthand notation for the three  2000 the procedure was becoming a technology for engineer-
                partial differential equations of Equation 10.20 (no  ing practice, albeit special expertise was required.
                dimensions)                                       Once a CFD model has been defined for a given mixing
              v is the velocity vector for infinitesimal mass (m=s)  situation, variables may be changed to investigate a variety of
                                                               ‘‘what if?’’ scenarios. For example, the rotational velocity of
              The terms on the left side are due to pressure gradient,
                                                               the impeller may be changed, the flow through the reactor may
            gravity, and viscous shear, respectively. On the right side are  be varied, the chemical reactions=kinetics may be changed, the
            the inertia terms due to unsteady flow acceleration and advec-  impeller diameter may be increased or decreased, baffles may
            tive acceleration, respectively. In many situations, e.g., steady  be changed in size, or the type of impeller may be changed.
            and uniform pipe flow, the terms on the right side equal zero.  The same is true if the mixing technology is an ‘‘in-pipe’’
            The dimensionless numbers, e.g., Euler, Froude, Reynolds,  technology, such as a submerged jet or a grid.
            are empirical forms of this equation for the special conditions  For steady-state conditions, a solution may be depicted
            that only one force kind is dominant in the acceleration, e.g.,  graphically; for solutions involving changes with time, ani-
            pressure, gravity, viscous shear. In mixing, advective acceler-  mation can depict the outputs. Some of the outputs include
            ation is present throughout the volume due to both curvature  velocity fields, pressure fields, concentration fields, etc., either
            of flow and changes in velocity from point to point. For  steady state or in terms of time-varying animation.
            steady-state flow the unsteady term is zero.           Specific applications of CFD have included a variety of
              The Navier–Stokes equation, when combined with the  hydraulic problems common to water and wastewater treat-
            conservation of mass equation, i.e., r  v ¼ 0, provides a
                                                               ment, e.g., design of disinfection basins to minimize short-
            complete mathematical description of the flow of incompress-
                                                               circuiting, evaluation of the effect of density currents in
            ible Newtonian fluids. There are two equations and two
                                                               settling basins, evaluation of inlet and outlet designs for
            unknowns, i.e., v and p (the velocity field and the pressure
                                                               sedimentation basins, and for mixing. Figure 10.14 illustrates
            field), respectively. The Navier–Stokes equation, however, is a
                                                               the results of CFD animation of vortices generated by a radial-
            ‘‘nonlinear, second order, partial differential equation’’ that is
                                                               flow ‘‘Rushton-type’’ impeller system showing perspective, top,
            not amenable to mathematical solution (except for special
                                                               and side views, respectively, of vortices at one instant of time.
            cases with simplifying assumptions). This was changed in
                                                               The simulation was a ‘‘large eddy simulation’’ and used a
            the 1960s by expressing the equations in finite difference
                                                               ‘‘Fluent 5’’ code and involved 763,000 cells with 0.01   Dt
            form; Fortran algorithms for numerical solutions evolved,
                                                               0.05 s with a Sun ‘‘Ultra 60’’ dual processor (Bakker et al.,
            enabled by the advent of high-speed computers. Mainframe
                                                               2000). The point in mentioning these particulars about the com-
            computing started about 1958 in a few university computer
                                                               puter is that such simulations were formerly relegated to large
            centers; the latter were present in most research universities by  mainframes, i.e., ‘‘super-computers’’; the desktop machines had
            about 1960. During the 1960s the advances were rapid in  become powerful enough to handle the computation.
            mainframe computing and by about 1970, some initial anima-  The merit of CFD is that the solutions involve few sim-
            tions were done, a characteristic of CFD that developed during  plifications; virtually all factors, e.g., geometry, fluid proper-
            the 1990s.                                         ties, functional dependencies, may be incorporated in the
              The approach to creating a numerical solution to a differ-  solution. In other words, the method involves the application
            ential equation is illustrated in Section 4.3 for several kinds of  of science as contrasted to the traditional empirical approach.
            reactors. The same approach is followed in creating a numer-  As a caveat, however, CFD solutions should be verified
            ical solution to the Navier–Stokes equation. To reiterate from  by field measurements or physical modeling. The applica-
            Section 4.3, the computational scheme is to first divide the  tion of CFD, however, is not routine and requires special
            volume being modeled into infinitesimal ‘‘cells’’ (numbering  expertise.
            in the thousands or millions, depending on the problem),
            which may be depicted as a ‘‘mesh.’’ Next, the ‘‘boundary
            conditions’’ (velocities, pressures, state conditions at the  10.3.3 SIMILITUDE
            inflow and outflow boundaries at time t ¼ 0) for the problem
                                                               The principles of similitude in mixing were developed by
            are applied. Any variety of ‘‘boundary conditions’’ may be
                                                               J.H. Rushton and his associates (Box 10.4) in the 1950s.
            incorporated to give different solutions. In mixing, for
                                                               Several kinds of similitude scale-up are pertinent to mixing,
            example, the solutions may depict the effects of different
                                                               e.g., geometric, dynamic, kinematic, detention time, power
            shapes and sizes of impellers, different configurations of
                                                               per unit volume (P=V), G, and impeller tip speed (Oldshue,
            tank geometry, different points of addition of a coagulant, etc.
                                                               1983, p. 197). The issue is that they are not simultaneously
                                                               compatible with one another, and so their application is lim-
            10.3.2.2  Computational Fluid Dynamics             ited. Nevertheless, a knowledge of similitude principles aids
            By the mid-1990s, the Fortran solution algorithms for the  design, e.g., determining volume of basin, dimensions, impel-
            Navier–Stokes equation had evolved into commercial com-  ler type, impeller rotational speed, and impeller power. Also,
            puter software (e.g., Fluente, 2001) for computer ‘‘worksta-  as noted by Oldshue and others, modeling can aid in design in
            tions’’; the application of such software was termed  providing an understanding of what not to do or how to
            ‘‘computational fluid dynamics,’’ abbreviated, ‘‘CFD.’’ By  modify a proposed system.
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