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multivariate production systems optimization - Stanford University

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5.2.6 Modify the Vapor and Liquid Compositions<br />

For the purposes of this study, a successive substitution scheme was used to estimate new<br />

equilibrium ratios for successive iterations. The fugacity coefficient is defined as<br />

It follows that<br />

V<br />

φi = fi V<br />

L<br />

φi = fi L<br />

59<br />

Yi P (5.34)<br />

L<br />

L<br />

φi fi Yi =<br />

V V Xi<br />

φi<br />

fi<br />

Yi P (5.35)<br />

At equilibrium, the partial fugacities are equal. The equation simplifies to<br />

L<br />

φi<br />

V<br />

φi<br />

= Yi<br />

Xi<br />

(5.37)<br />

(5.36)<br />

which is simply the definition of the equilibrium ratio. Therefore, we can used the fugacity<br />

coefficients determined in the current unsuccessful iteration to estimate new K-values.<br />

k i k+1 = fi L<br />

fi V k i k<br />

The new K-values are used to restart the procedure.<br />

(5.38)

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