McKay, Donald. "Front matter" Multimedia Environmental Models ...

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Fugacity Form 3 Level II Chemical: Hypothene Direct emission rate E 100 mol/h Advective input rates Compartment Volume m3 (V) Residence time h (t) Flow rate m3 /h = V/t = G Inflow concentration mol/m3 CB Chemical inflow rate mol/h = GC B ©2001 CRC Press LLC Air 6 ¥ 109 600 107 10 –6 10 Water 7 ¥ 106 7000 1000 10 –2 Total input rate E + SGC B = I = 100 + 10 + 10 = 120 Compartment Volume m3 (V) Z VZ Reaction half life (h)t Rate constant k = 0.693/t (h –1 ) Advective flow G m3 /h D reaction = VZk = DR D advection = GZ = DA DR + DA = DT Air 6 ¥ 109 4 ¥ 10 –4 2.4 ¥ 10 6 • 0 10 7 0 4000 4000 10 Water 7 ¥ 106 0.1 7 ¥ 105 693 0.001 1000 700 100 800 Soil 45000 12.3 5.5 ¥ 105 69.3 0.01 0 5535 0 5535 Sediment 21000 24.6 5.17 ¥ 105 6930 0.0001 0 51.7 0 51.7 Total D value = SD T = 10387 Fugacity f = I/SD = 120/10387 = 1.15 ¥ 10 –2 C = Z f mil/m 3 m = C V mol Percent CG g/m3 , i.e., CW Density r kg/m 3 C U µg/g, i.e., C G ¥ 1000/r Reaction rate DRf Advection rate DAf Total DTf Total amount M = Sm = Total reaction rate = SDRf = Total advection rate = SDAf = Total output rate (mol/h) = I = 4.6 ¥ 10 –6 27731 57.5 9.2 ¥ 10 –4 1.18 0.79 0 46.2 46.2 48180 72.6 47.4 120 1.15 ¥ 10 –3 8087 16.8 0.23 1000 0.23 8.1 1.2 9.3 0.14 6394 13.3 28.4 1500 19 63.9 0 63.9 Reaction residence time (h) = M/SDRf Advection residence time (h) = M/SDAf Overall residence time (h) = M/I = Figure 6.2 Fugacity form for completing a Level II calculation. 0.28 5968 12.4 56.8 1500 38 0.6 0 0.6 663 1017 401
Figure 6.3 Fugacity Level II calculation corresponding to Figure 6.3. ©2001 CRC Press LLC
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McKay, Donald. "Front matter" Multi
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Multimedia Environmental Models The
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hensive, and reliable, and they hav
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Chapter 1 Introduction Chapter 2 So
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McKay, Donald. "Introduction" Multi
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It is now evident that our task is
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McKay, Donald. "Some Basic Concepts
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give the derived units directly wit
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Energy (joule, J) The joule, which
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particles (aerosols), or biota in w
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Worked Example 2.1 A three-phase sy
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(i) What is the concentration (C) i
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Answer ©2001 CRC Press LLC 5.1 kg,
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or or When t is zero, C is zero, th
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What is the absolute minimum piscic
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©2001 CRC Press LLC C 1 = C O/(1 +
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containing nonequilibrium quantitie
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1. Fallout of chemical from air to
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validated using real environments.
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©2001 CRC Press LLC CHAPTER 3 Envi
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of other, somewhat similar or homol
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Table 3.2 List of Chemicals Commonl
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elatively high concentrations. This
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exists between toxicologists and ch
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determine priority. This is a subje
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Another important classification of
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Figure 3.1 (continued) ©2001 CRC P
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Table 3.5 (continued) dichlorometha
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Table 3.5 (continued) total PCB 326
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Figure 3.2 Plot of log K AW vs. log
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chlorofluoro compounds are very sta
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3.3.2.7 Arsenic Compounds Arsenic,
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McKay, Donald. "The Nature of Envir
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Figure 4.1 Evaluative environments.
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are subject to two important deposi
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metals and organic chemicals from w
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carbon figure for deeper sediments
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flows. The quality of this groundwa
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Table 4.2 Evaluative Environments A
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McKay, Donald. "Phase Equilibrium"
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Figure 5.1 Some principles and conc
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likely using an equilibrium criteri
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Another useful quantity is the rati
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experimentally, but not directly, u
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©2001 CRC Press LLC 5.3 PROPERTIES
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1.0. This, then, is the fugacity or
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where ©2001 CRC Press LLC pH is -l
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In terms of solubilities, S iA and
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The temperature coefficient is the
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(1982), Baum (1997) and Leo (2000).
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Although it may appear environmenta
Page 103 and 104: Figure 5.4 Illustration of quantita
Page 105 and 106: 5.5 ENVIRONMENTAL PARTITION COEFFIC
Page 107 and 108: C S = K PC W benzene = 1.1 ¥ 0.001
Page 109 and 110: Mackay (1986), in an attempt to sim
Page 111 and 112: Compartment Definition of Fugacity
Page 113 and 114: high concentration in the fish, but
Page 115 and 116: heat capacity of 0.38 J/g°C requir
Page 117 and 118: Therefore, ©2001 CRC Press LLC f =
Page 119 and 120: ©2001 CRC Press LLC Z T = S(V i/V
Page 121 and 122: ©2001 CRC Press LLC air Z = P S /R
Page 123 and 124: Table 5.1 Table 5.1 Summary of Defi
Page 125 and 126: Figure 5.7 Fugacity form 1 for dedu
Page 127 and 128: Calculate the following physical-ch
Page 129 and 130: ©2001 CRC Press LLC CHAPTER 6 Adve
Page 131 and 132: that all water will spend 100 days
Page 133 and 134: This enables us to conceive of, and
Page 135 and 136: ©2001 CRC Press LLC f = 15/0.5 = 3
Page 137 and 138: D AS dominates. A residence time of
Page 139 and 140: and Therefore, ©2001 CRC Press LLC
Page 141 and 142: eaction situation in which there is
Page 143 and 144: The rate constants in each case are
Page 145 and 146: ©2001 CRC Press LLC 1/t O = SD Ai/
Page 147 and 148: e achieved in 10 days. Detractors o
Page 149 and 150: sulfate to sulfide or by dechlorina
Page 151 and 152: to Zepp and Cline (1977) for the or
Page 153: ©2001 CRC Press LLC 6.7 LEVEL II C
Page 157 and 158: McKay, Donald. "Intermedia Transpor
Page 159 and 160: Figure 7.1 Illustration of nonequil
Page 161 and 162: 5. Diffusion within soils, and from
Page 163 and 164: sionally, the term flux rate is use
Page 165 and 166: ©2001 CRC Press LLC N = ABDC/ Dy m
Page 167 and 168: no currents or eddies. In practice,
Page 169 and 170: diffusivity, and some unknown layer
Page 171 and 172: where ©2001 CRC Press LLC X = y/ U
Page 173 and 174: fraction of the total volume that i
Page 175 and 176: Figure 7.6 Mass transfer at the int
Page 177 and 178: partition coefficient. The signific
Page 179 and 180: and the series retains a similar ra
Page 181 and 182: ments of resuspension rates are par
Page 183 and 184: Figure 7.8 Movement of air phase (k
Page 185 and 186: ates can thus be used to estimate m
Page 187 and 188: Figure 7.9 Combination of D values
Page 189 and 190: Figure 7.10 Four-compartment Level
Page 191 and 192: Table 7.2 Order of Magnitude Values
Page 193 and 194: Unlike the Level II calculation, it
Page 195 and 196: Figure 7.12 Sample Level III output
Page 197 and 198: McKay, Donald. "Applications of Fug
Page 199 and 200: applications. Citations are given t
Page 201 and 202: Another approach is to employ Monte
Page 203 and 204: LEVEL1B A six-compartment Level I p
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Figure 8.1 Air-water exchange proce
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The total rates of transfer are thu
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Figure 8.2 Chemical transport and t
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mean. For chemical between depths o
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8.5.2 Process Description The water
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learn the benefits of using fugacit
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where Figure 8.5 QWASI model: stead
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are similar to those described by M
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C F ª Z Ff W ª 1.608 mol/m 3 ª 4
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y Mackay et al. (1983), and an appl
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accordingly, but the final solution
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Figure 8.10 Fish bioaccumulation pr
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The nature of the processes control
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iomagnification is more significant
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An alternative and more elegant met
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8.11.2 Model of a Chemical Evaporat
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Paterson et al. (1991), and Hung an
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8.14.1 Introduction ©2001 CRC Pres
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mated again in mg/day. Food, the ot
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models. Most interest is in LRT in
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available from the University of To
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McKay, Donald. "Appendix" Multimedi
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©2001 CRC Press LLC
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