Group-contribution lattice-fluid EOS: Prediction of LLE in polymer solutions

✍ Scribed by Byung-Chul Lee; Ronald P. Danner

• Publisher: American Institute of Chemical Engineers
• Year: 1996
• Tongue: English
• Weight: 708 KB
• Volume: 42
• Category: Article
• ISSN: 0001-1541
• DOI: 10.1002/aic.690421123

✦ Synopsis

The modified group-contribution lattice-fluid equation of state (GCLF -EOS) was applied to predict liquidliquid equilibria (LLE) in polymer solutions. The modified GCLF -EOS is a group-contribution form of the equation of state by Panayiotou and Vera based on the lattice-hole theory. Group contributions for the interaction energy and reference volume were developed based only on the saturated vapor pressures and liquid densities of low-molecular-weight compounds. For a mixture, group contributions for the binary interaction parameter were developed from the binary vapor -liquid equilibria of low-molecular-weight compounds. This modified GCLF-EOS model can be applied to predict LLE behavior in polymer solutions with the same group-contribution parameters as used for predicting the vaporliquid equilibria. The only input required for the model is the structure of the molecules in terms of their functional groups.