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



                                                           –
                                                          ΔX       –  –
                                             Particle kinetics:  = D C (X*–X)
                                                                s
                               1.0                        Δt
                                                             P
                                                           Inflection point: (C΄, Z΄)
                                                                          0
                                                                        0
                              C/C 0                                          –
                                                                                        –
                                                                                  1
                                                                                    P
                                                             Advection kinetics:  ΔX  =                    (v+ Dλ) λC
                                                                            Δt    ρ 1– P
                                                                               A
                                                                                      C   –λ(Z– Z΄)
                                                                                        = e   0
                                                                                     C 0
                                0
                                             Z
            FIGURE 15.13 Illustration of model components showing zones of influence of governing kinetic equations. (Adapted from Vagliasindi, F.
            and Hendricks, D.W., J. Environ. Eng. Div., ASCE, 118(4), 532, 1992.)

            15.2.3.2.3  Determination of l                                        C iþ1 þ C i 1  C iþ1   2C i þ C i 1
                                                               (C i ) tþDt ¼ (C i ) t þ v   þ D         2
            The probability coefficient, l, can be determined only by                 2DZ              DZ
                                                                                             #


            experimental data to yield a plot of log C(Z ) t versus Z ,           1   P DX
                                                            0
                                                  0
            which is best done at low adsorbate concentration for the           r   P   Dt    Dt          (15:38)
            likely condition that [qX=qt] P   [qX=qt] A . The plot is a                     i, t
            straight line in the zone Z > Z 0 , whose slope is l=2.3 per  Equation 15.38 allows computation of C(Z, t) where Z is
            Equation 15.46 and its logarithmic form, Equation 15.35,  calculated as i   DZ and t is calculated as t 2 ¼ t 1 þ Dt. A print-
                                                               out for time, t, gives columns with slice, ‘‘i,’’ distance, ‘‘Z,’’
                                           l
                               0       0      Z  0     (15:35)  and the computed, C i . In other words, the columns provide
                                       0
                                           2:3                 C(Z) t output, or the ‘‘wave front.’’
                         log C(Z ) ¼ log C
                                                                  The printout interval is for whatever is convenient to
            15.2.3.3  Simulation Modeling                      illustrate the changes with time, e.g., 1.0 h, 10 h, depending
            Equation 15.24 may be solved numerically by means of a  on the rate of change. Equation 15.38 is applicable to either
            computational algorithm (Keinath, 1975; Vagliasindi and  particle kinetics or advection kinetics, whichever applies.
            Hendricks, 1992). Several million to several tens of millions  Advection kinetics is applicable when [(qX=qt] P ] i,t
            of iterations may be involved.                     [[(qX=qt] A ] i,t .
                                                               15.2.3.3.2  Solid-Phase Concentration
            15.2.3.3.1  Numerical Solution of Mass Balance
                       Equation                                To obtain adsorbate concentration in the solid phase, i.e.,
                                                               X(Z, t) the calculation for the concentration profile,
            Solutions for C(Z, t) and X(Z, t) are arrived at by means of a
                                                               i.e., X(Z) t ,is
            numerical scheme executed by a computer algorithm, e.g.,
            Fortran. The algorithm is straightforward, relying on repeti-
                                                                                            dX
            tion. First, Equation 15.24 is rewritten in finite-difference    (X i ) tþDt ¼ (X i ) t þ    Dt  (15:39)
                                                                                            dt  i,t
            form, i.e.,
                                                               The adsorption uptake term, dX=dt, must be determined for
                 DC      DC     D   DC    1   P DX             two cases: [(qX=qt] P ] i,t , and [(qX=qt] A ] i,t for each slice i, and
                     ¼ v     þ D        r              (15:36)
                  Dt     DZ      DZ 2      P   Dt              for each time iteration. The computer program will test each
                                                               of these equations by Equation 15.26 to determine which is
            To solve Equation 15.36, the column is divided into slices of  smallest; the smallest governs. Then, from the computation of
            thickness, DZ. Then, using the central-difference method from  Equation 15.39, X(Z) t is obtained.
            numerical analysis, Equation 15.36 is applied to a slice ‘‘i’’; its
            restatement is                                     15.2.3.3.3  Computer Algorithm
                                                               Figure 15.14a depicts an adsorption reactor column showing
            (C i ) tþDt    (C i ) t  C iþ1 þ C i 1  C iþ1   2C i þ C i 1  column slices, 1   i   n, each of thickness, DZ. The shading
                         ¼ v            þ D
                 Dt              2DZ             DZ 2          represents adsorbate concentration in the solid phase as being

                              1   P DX                         proportional to the shade of grey, discussed in the next sec-
                            r                          (15:37)
                                P   Dt                         tion. The slices are designated, ‘‘i,’’ e.g., i ¼ 1, 1 ¼ 2, i   1, i,
                                       i,t
                                                               i þ 1, i ¼ n. The mass balance differential equation applies to
            Rearranging Equation 15.37 to solve for the new concentra-  any slice, i. The computation protocol is to start at t ¼ 0andat
                                                                                                 0  l iDZ
            tion in slice ‘‘i’’ after a time increment Dt gives  i ¼ 1 with C i ¼ 1 ¼ C 0 with C(i) t¼0 ¼ C e  ,1   i   n
                                                                                                 0
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