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Aspen Physical Property System - Physical Property Models

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Taking the derivative of equation 7 with respect to I, gives:<br />

So that:<br />

142 2 Thermodynamic <strong>Property</strong> <strong>Models</strong><br />

(8)<br />

(9)<br />

(10)<br />

This equation is used in equation 6. In equations 7 and 9, is the usual Debye-<br />

Hückel constant for the osmotic coefficient, determined from:<br />

Where:<br />

NA = Avogadro's constant<br />

dw = Water density<br />

�B = Dielectric constant of solvent B<br />

(11)<br />

b is an adjustable parameter, which has been optimized in this model to equal<br />

1.2.<br />

B and B' need expressions so that equations 5 and 6 can completely be solved<br />

for the activity coefficients. The parameter B is determined differently for<br />

different electrolyte pairings. For 1-n electrolytes (1-1, 1-2, 2-1, and so on)<br />

the following expression gives the parameter B:<br />

with �1=2.0.<br />

(12)<br />

For n-m electrolytes, n and m>1 (2-2, 2-3, 3-4, and so on), B is determined<br />

by the following expression:<br />

with �2 = 12.0 and �3 = 1.4.<br />

(13)<br />

By taking appropriate derivatives, expressions for B' can be derived for 1–n<br />

electrolytes:<br />

(14)

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