Chloroform sorption in nanoporous crystalline and amorphous phases of syndiotactic polystyrene |
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| Authors: | Giuseppe Mensitieri Domenico Larobina Gaetano Guerra Vincenzo Venditto Maurizio Fermeglia Sabrina Pricl |
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| Affiliation: | 1. Department of Materials and Production Engineering, University of Naples Federico II, P.le Tecchio 80, 80125 Naples, Italy;2. Institute for Composite and Biomedical Material CNR‐IMCB, P.le Tecchio 80, 80125 Naples, Italy;3. Department of Chemistry, University of Salerno, via Ponte don Melillo, 84084 Fisciano (Salerno), Italy;4. Molecular Simulation Engineering (MOSE) Laboratory, Department of Chemical, Environmental and Raw Materials Engineering, University of Trieste, Piazzale Europa 1, 3412 Trieste, Italy |
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| Abstract: | The transport of chloroform in films of atactic polystyrene and of semicrystalline syndiotactic polystyrene in its nanoporous form (δ‐form) has been investigated by gravimetric analysis. Experimental tests have been performed at 35, 49, and 56 °C and at several vapor pressures ranging from 0.5 to 100 Torr. Nonequilibrium lattice fluid prediction of the amorphous sorption behavior was used to enucleate the sorption contribution of the crystalline nanoporous phase from semicrystalline samples. Sorption behavior of the crystalline phase has been interpreted on the basis of Langmuir equation. Moreover, the chloroform sorption at low activities in the crystalline nanoporous phase has been predicted by using Grand Canonical Monte Carlo molecular simulations. Isosteric heats of sorption were also experimentally evaluated for the crystalline phase, and compared with the corresponding prediction of molecular simulation. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 46: 8–15, 2008 |
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| Keywords: | chloroform Grand Canonical Monte Carlo simulations isosteric heat of sorption simulations syndiotactic polystyrene, transport properties |
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