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

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Figure 5.8 Fugacity form 2 for deducing Z values. This example illustrates the fundamental simplicity of the equilibrium calculation and shows that the Z values are intimately related to the partition coefficients. The dimensionless air-water partition coefficient K AW , which is defined as C A/C W, is clearly 0.8/2.0 or 0.4. Likewise, C S/C W is 10000/2.0 or 5000. These ratios are also ratios of Z values. ©2001 CRC Press LLC 5.9 CONCLUDING EXAMPLE Select two nonionizing substances from Table 3.5, one a liquid and the other a solid, preferably with a melting point exceeding 100°C, and with log K OW in the range 3 to 6.
Calculate the following physical-chemical properties for these substances at 25°C: fugacity ratio (1.0 for the liquid); Henry’s law constant; solubilities (mol/m 3 ) in air, water, and octanol; the three partition coefficients between these phases and the activity coefficients in water and octanol. Assume a molar volume of 18 cm 3 /mol for water and 120 cm 3 /mol for octanol. In the case of the solid, calculate both the solid and supercooled liquid solubilities. Calculate the Z values in air, water, octanol, and in the pure chemical phase (assuming a density of 1 g/cm 3 if the chemical’s density is not readily available from a handbook). Using Fugacity Form 1 as a template, calculate Z values in the following media: • soil solids containing 1% organic carbon • suspended sediment solids containing 15% organic carbon • bottom sediment solids containing 5% organic carbon • aerosol particles • fish containing 5% lipid Assume K OC to be 0.41 K OW and all solid densities to be 2000 kg/m 3 . Using Fugacity Form 2, calculate the fugacity, concentrations, and distribution of 100 kg of each chemical in an environment consisting of these volumes: air 10 9 m 3 water 10 6 m 3 soil solids 10 4 m 3 suspended sediment solids 50 m 3 bottom sediment solids 10 3 m 3 aerosols 1 m 3 fish 5 m 3 Alternatively, use the environment that was deduced in the concluding example from Chapter 4. Write a short account of the partitioning behavior of these substances. Where would you analyze for monitoring purposes? Why? At what fraction of the saturation conditions is the chemical present, i.e., the ratio of fugacity to vapor pressure? In the water and atmosphere, what fractions of the total concentration are present in each of the dispersed phases of aerosols, suspended sediment, and fish? ©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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Page 77 and 78: Table 4.2 Evaluative Environments A
Page 79 and 80: McKay, Donald. "Phase Equilibrium"
Page 81 and 82: Figure 5.1 Some principles and conc
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Page 85 and 86: Another useful quantity is the rati
Page 87 and 88: experimentally, but not directly, u
Page 89 and 90: ©2001 CRC Press LLC 5.3 PROPERTIES
Page 91 and 92: 1.0. This, then, is the fugacity or
Page 93 and 94: where ©2001 CRC Press LLC pH is -l
Page 95 and 96: In terms of solubilities, S iA and
Page 97 and 98: The temperature coefficient is the
Page 99 and 100: (1982), Baum (1997) and Leo (2000).
Page 101 and 102: 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: Figure 5.7 Fugacity form 1 for dedu
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
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Page 151 and 152: to Zepp and Cline (1977) for the or
Page 153 and 154: ©2001 CRC Press LLC 6.7 LEVEL II C
Page 155 and 156: Figure 6.3 Fugacity Level II calcul
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
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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
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partition coefficient. The signific
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and the series retains a similar ra
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ments of resuspension rates are par
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Figure 7.8 Movement of air phase (k
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ates can thus be used to estimate m
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Figure 7.9 Combination of D values
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Figure 7.10 Four-compartment Level
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Table 7.2 Order of Magnitude Values
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Unlike the Level II calculation, it
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Figure 7.12 Sample Level III output
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McKay, Donald. "Applications of Fug
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applications. Citations are given t
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Another approach is to employ Monte
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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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