Naslov
UNIQUAC-NRF Segmental Interaction Model for Vapor-Liquid Equilibrium Calculations for Polymer Solutions

Autori
Radfarnia, R. Hamid ; Bogdanić, Grozdana

Vrsta, podvrsta i kategorija rada
Radovi u zbornicima skupova, cjeloviti rad (in extenso), znanstveni

Izvornik
16th International Congress of Chemical and Process Engineering (CHISA 2004), CD-ROM of Full Texts / Wichterle, I. - Prag : Czech Society of Chemical Engineering (CSCHE), 2004, D-770

Skup
16th International Congress of Chemical and Process Engineering, CHISA 2004

Mjesto i datum
Prag, Češka Republika, 22.08.2004. - 26.08.2004

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
UNIQUAC-NRF model; Polymer solutions; VLE

Sažetak
This paper presents a segment-based thermodynamic model, containing the combinatorial, free-volume and energetic contributions to the excess Gibbs energy for correlation/prediction of vapor-liquid equilibrium (VLE) of polymer solutions. The model is derived from the UNIQUAC-NRF model, recently proposed by Haghtalab and Asadollahi1-3, following the idea4-5 to associate the nonideality of polymer - solvent mixture with polymer segment - solvent interaction parameters. The energetic contribution is based on the individual segments (repeating units) of polymer or copolymer and solvent molecule interactions. Segment activity coefficients are calculated by means of the UNIQUAC model. By now, 14 binary segmental interaction parameters have been estimated. The capability of the model is proven with successful representation of VLE correlation/prediction for 25 polymer-solvent systems. Extensive comparison of the accuracy of the predictions of activity coefficients using the UNIQUAC-NRF model with two other predictive models, Entropic-FV6 and GC-Flory7, is carried out. It is shown that UNIQUAC-NRF model performs now as well as both mentioned models. It gives in general predictions of VLE of the same quality (or sometimes better) as the Entropic-FV and GC-Flory models for finite concentrations as well as for the dilute regions. References 1. A.Haghtalab, M.A.Asadollahi, Fluid Phase Equil., 171, 77 (2000). 2. A.Haghtalab., J.H.Vera, AIChE J., 34, 803 (1988). 3. A.Haghtalab, J.H.Vera, AIChE J., 37, 147 (1991). 4. G.Bogdanić, J.Vidal, Fluid Phase Equil., 173, 241 (2000). 5. G.Bogdanić, Fluid Phase Equil., 191, 49 (2001). 6. G.M.Kontogeorgis, Aa.Fredenslund, D.P.Tassios, Ind.Eng.Chem.Res., 31, 362 (1993). 7. G.Bogdanić, Aa.Fredenslund, Ind. Eng. Chem. Process Des. Dev., 34, 1331 (1995).

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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