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Figure 8.17 Chemical oxidation process modeled analytically in Mathematica ® .condition provided in the call. If the initial condition is not provided, the solutionwill include the integration constant c[1].In the next input line In(2), the model parameters are first assignednumeric values (Cin = 40; HRT = 8; and η.k.a = 2.50 ), and Dsolve is calledagain in symbolic form. Mathematica ® returns the solution in the output lineOut(3), in numeric form, substituting the given parameter values. Findingthe solution in numeric form is a prerequisite for plotting the results. Finally,a call to Plot the results is made in the input line In(3), whereupon,Mathematica ® plots the results as specified in the call.© 2002 by CRC Press LLC
When Mathematica ® cannot find analytical solutions, it will return a messageindicating its inability. In such cases, users can call the Mathematica ®built-in numerical procedure, NDSolve. This approach is illustrated here tosolve the same equation with numeric model parameters. The call to this procedureincludes the equation, an initial condition, the dependent variable, andthe range of the independent variable over which the numerical solution isfound. Of course, in this case, numerical values have to be provided for themodel parameters. For the same values of Cin = 40, HRT = 8, and η.k.a =2.50, the result for C is returned as an interpolating function. A call to the Plotprocedure is then called to plot a graph of the interpolating function (returnedby the NDSolve) as a function of time, as shown in Figure 8.18.The same problem can be modeled using MATLAB ® . Even thoughMATLAB ® cannot solve this equation analytically, its numerical procedure,ode45 can, as shown in Figure 8.19. In MATLAB ® , an M-File containing themodel parameters and the right-hand side of the differential equation is firstcreated and saved under the name of “Oxidation.” Then, a call to the numericalprocedure ode45 is evoked from the command window, passing the argumentsthat indicate the name of the M-File containing the differentialequation (Oxidation, in this case) and the initial condition. The solution isthen plotted using the plot call.The TK Solver package is used to solve this problem as shown in Figure 8.20,where the use of custom functions and advanced built-in procedures toFigure 8.18 Chemical oxidation process modeled numerically in Mathematica ® .© 2002 by CRC Press LLC
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© 2002 by CRC Press LLCModeling To
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ContentsPrefaceAcknowledgmentsFUNDA
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APPLICATIONS8. MODELING OF ENGINEER
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The contents of this book are organ
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PART IFundamentals© 2002 by CRC Pr
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The models resulting from the model
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within the grasp of only a few with
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1.2.3 STATIC VS. DYNAMICWhen a syst
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Real SystemsMathematical ModelsDete
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through several pathways. Consequen
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ange of complex environmental appli
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APPENDIX 1.1 TYPICAL USES OF MATHEM
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APPENDIX 1.2 (continued)Target Audi
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characteristics. The system is isol
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formation, inferencing, testing, va
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system-surroundings interactions ca
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2.2.4 INTERPRETATION AND EVALUATION
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to fill in where scientific theorie
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Figure 2.3 Schematic of real system
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Table 2.1 Variables, Symbols, Dimen
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∴Net diffusive inflow = -EA ∂
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in terms of the model parameters al
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Figure 2.8 Model predictions vs. me
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variables. Deterministic systems ca
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e possible, and a computational met
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or, in matrix forma 11 a 12 a 13a 2
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(a)(b)Figure 3.3 (a) Setting up Sol
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Figure 3.5 Using MATLAB ® for solv
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Another method, known as the Newton
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and so on up tof n (x 1 , x 2 , . .
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c. Second-order equation with equid
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Figure 3.9 Solution of ODE by Mathe
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over the entire step, which may be
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Hence, the original problem is now
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2∂ f f i1,j1 - f i-1,j1 - f i1,j-
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modeling, in diagnosis and troubles
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For the reach x ≥ a: C S D K
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contaminants that do not undergo an
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known as an intensive property. Oth
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Dissolved mass in sample = dissolve
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Figure 4.2 Illustration of steady s
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4.3.2.2 Dalton’s LawDalton’s La
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Table 4.2 Different Forms of Quanti
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M olesoxygenHence, K a-w = = 8 - 3
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SolutionThe flux, N, which is the d
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Figure 4.3 Illustration of the Two-
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where C s is the concentration of t
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Fraction in dissolved form = f d =
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in the air (M/L -3 ), C a is the co
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ackward reactions can expressed in
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4.7.2 ELEMENTARY REACTIONSThe rate
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excess energy. The direct photolysi
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4.8 MATERIAL BALANCEAs indicated in
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SolutionLet M be the mass of chemic
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CpHence, the final result isEXERCIS
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APPENDIX 4.1 COMMON PARTITION COEFF
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analyzing and modeling them. The ex
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\5.2.2 HETEROGENEOUS REACTORSHetero
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CC = in -(t t 0 )k C t in0 k- C
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Worked Example 5.1A wastewater trea
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or,C L = C 0 e -(k /u)L = C 0 e -k
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HRT = 1 k (1 - )The overall HRT
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The MB equation for the above syste
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the particle surface (ML -2 T -1 ),
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0 = QX - Q(X - dX) - K L (aAdz)(X -
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chemical engineering applications.
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This expression does not provide an
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If the WWTP used air instead of pur
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and degradation of the natural envi
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The solution to the above PDE gives
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• river 2: x = 15000.5 dmay ∴u
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These functions are valuable tools
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this problem. Once the basic “syn
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giving the condition Q > 4πRu for
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directions, and the last term repre
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SolutionTo be conservative, it may
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zone, because the hydraulic conduct
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6.2.5 FLOW OF AIR AND CONTAMINANTS
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time-dependent volumetric flow rate
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Solution(1) The steady state concen
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As a first step in modeling a river
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where a 1,4 is the conversion facto
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© 2002 by CRC Press LLCFigure 6.8
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Figure 6.106.5 Consider the stream
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Case 4: Pulse Source in Two Dimensi
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End users often adapted these model
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Page 181 and 182: typing in the equations in algebrai
Page 183 and 184: accessed in Simulink ® models. The
Page 185 and 186: By combining the above simple funct
Page 187 and 188: Concentration [mg/L]Figure 7.3 Lake
Page 189 and 190: saving considerable model building
Page 191 and 192: dependent variable, the dependent v
Page 193 and 194: command is used to keep the plot fr
Page 195 and 196: Figure 7.10 Lake problem solved wit
Page 197 and 198: simulation. This enables, for examp
Page 199 and 200: Figure 7.13 Lake problem modeled in
Page 201 and 202: It is hoped that the above overview
Page 203 and 204: APPENDIX 7.2 EXAMPLES OF TYPES OF E
Page 205 and 206: CHAPTER 8Modeling of EngineeredEnvi
Page 207 and 208: MB on dissolved oxygen: dC od xyt=
Page 209 and 210: © 2002 by CRC Press LLCFigure 8.1
Page 211 and 212: Table 8.2 SBR Model Equations Gener
Page 213 and 214: Figure 8.4 Predicted vs. measured C
Page 215 and 216: mathematical model. First, a proces
Page 217 and 218: Figure 8.9 Pretreatment system—ef
Page 219 and 220: Figure 8.11 CMFRs in series: optimi
Page 221 and 222: Other improvements can include alte
Page 223 and 224: Figure 8.15 Model of wastewater tre
Page 225: 8.5 MODELING EXAMPLE: CHEMICAL OXID
Page 229 and 230: Figure 8.20 Chemical oxidation proc
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Page 237 and 238: © 2002 by CRC Press LLCFigure 8.27
Page 239 and 240: where q is the mass of color adsorb
Page 241 and 242: Figure 8.29 Results of activated ca
Page 243 and 244: and d X = (µ - b)Xdtwhere b is the
Page 245 and 246: Figure 8.32 Results of bioregenerat
Page 247 and 248: under a set of known data, the stat
Page 249 and 250: MB across element on oxygen in gas
Page 251 and 252: Figure 8.38 Typical results of oxyg
Page 253 and 254: Figure 8.39 Mathematica ® script f
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Page 257 and 258: To generalize the approach, the gov
Page 259 and 260: Figure 8.44 Concentration in pore g
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Page 263 and 264: Figure 9.2 Lakes in series modeled
Page 265 and 266: Figure 9.4 Two lakes in series mode
Page 267 and 268: In this example, a two-compartment
Page 269 and 270: in the sediments, v b is the burial
Page 271 and 272: Figure 9.9 Algal growth modeled in
Page 273 and 274: Figure 9.11 Algal growth modeled in
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Figure 9.15 Graphical user interfac
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Figure 9.17 Contaminant transport v
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Figure 9.19 Contaminant transport v
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© 2002 by CRC Press LLCFigure 9.20
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Figure 9.21 Chemical equilibrium mo
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MB on liver:MB on bones: d P2 = k 2
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Table 9.3 Model Equations in ithink
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Figure 9.25 Problem definition for
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Figure 9.28 Groundwater flow visual
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W and the second to V, in line 6. T
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Figure 9.30 Three-dimensional conto
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VerticalDispersion CoefficientsHori
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configuration of the unit world pro
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342Chemical Mass Distribution [%]11
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water quality standard of 500 mg/L
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Hence, Q π tan-1 - 1 - UL - 1Q/
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Figure 9.38d Stream lines and veloc
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BibliographyBedient P. B., Rifai, H
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Nirmalakhandan, N., Jang, W., and S
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