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

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high concentration in the fish, but only a negligible fraction of the benzene is<br />

associated with fish. Such calculations are invaluable, because they establish the<br />

dominant medium into which the chemical is likely to partition, and they even give<br />

approximate concentrations.<br />

5.6.2 The Fugacity Method<br />

We now repeat these calculations using the fugacity concept and replacing C by<br />

Zf. We know that Z will depend on<br />

1. the nature of the solute (i.e., the chemical)<br />

2. the nature of the medium or compartment<br />

3. temperature<br />

4. pressure (but the effect is usually negligible)<br />

5. concentration (but the effect is negligible at low concentrations)<br />

We have developed procedures by which Z values can be estimated for any given<br />

environmental situation. Equilibrium concentrations can then be deduced using f as<br />

a common criterion of equilibrium. We can repeat the previous partitioning example<br />

using the fugacity method and demonstrate the equivalence of the two approaches<br />

as before, but now applying the same fugacity to each phase.<br />

Therefore,<br />

©2001 CRC Press LLC<br />

M = C 1V 1 + C 2V 2 + C 3V 3 + C 4V 4<br />

= Z 1fV 1 + Z 2fV 2 + Z 3fV 3 + Z 4fV 4<br />

= f (V 1Z 1 + V 2Z 2 + V 3Z 3 + V 4Z 4)<br />

f = M/(V 1Z 1 + V 2Z 2 + V 3Z 3 + V 4Z 4)<br />

from which each C can be calculated as Zf, and the amount in each phase m is CV<br />

or VZf.<br />

In general,<br />

Worked Example 5.6<br />

f = M/SV iZ i C i = Z if m i = V iZ if<br />

Using the data in Example 5.5, recalculate the distribution using fugacity and<br />

assuming that Z A is 4 ¥ 10 –4 mol/m 3 Pa.<br />

Z W = Z A/K AW = 0.002<br />

Z S = K SWZ W = 0.03

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