Regression of liquid-liquid phase equilibrium data using ASPEN’s NRTL and UNIQUAC modules yields large discrepancies; a analytical approach is sought

2016-05-21View Original

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I’m seeking advice from experts. I have used the NRTL and UNIQUAC models to perform regression analysis on the liquid-liquid phase equilibrium data for N-formylmorpholine and n-heptane, but the regression values differ significantly from the experimental values. I would appreciate any suggestions from those experienced in this field. Temperature/K, n-heptane composition (upper layer), n-heptane composition (lower layer): 298.75, 0.9794, 0.0183; 302.85, 0.9688, 0.0216; 312.05, 0.9645, 0.0243; 320.05, 0.9624, 0.0277; 329.35, 0.9605, 0.0323; 337.65, 0.9575, 0.0381; 348.35, 0.9527, 0.0399; 357.75, 0.9467, 0.0446; 369.35, 0.9279, 0.0536; 378.31, 0.9087, 0.0667; 389.35, 0.8819, 0.0804

Reply #22016-05-21

It’s normal for there to be differences in software! A reasonable range will do!

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Regression of liquid-liquid phase equilibrium data using ASPEN’s NRTL and UNIQUAC modules yields large discrepancies; a analytical approach is sought

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