Application of the group contribution lattice-fluid EOS to polymer solutions |
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| Authors: | Martin S. High Ronald P. Danner |
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| Affiliation: | 1. Polymer Science Program, Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802;2. Department of Chemical Engineering, Pennsylvania State University, University Park, PA 16802 |
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| Abstract: | A new group contribution lattice-fluid equation of state (GCLF-EOS) is described that can accurately predict the activities of solvents in polymer solutions. This equation of state is a modification of the equation of state derived by Panayioutou and Vera (1982), which is based on the lattice statistics developments of Guggenheim (1952). The group contribution modification permits the prediction of solvent activity, given only the structure of the polymer and solvent involved. The GCLF-EOS can accurately predict solvent activities in polystyrene, polyethylene, poly(ethylene oxide), poly(ethylene glycol), poly(propylene oxide), and poly(vinyl chloride). The model does not perform as well for solvent activities in polyisobutylene due to the inaccurate group contribution values for the quaternary carbon group. |
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