Abstract Well established equation-of-state (EoS) models from Perturbed Hard Sphere Chain Theory have been adopted within the framework of non-equilibrium thermodynamics for glassy polymers (NET-GP) to describe the solubility of small penetrants in glassy polymers. The procedure presented here parallels the one already applied to the Lattice Fluid EoS, obtaining the Non-Equilibrium Lattice Fluid (NELF) model. The solubility is calculated as pseudo-equilibrium solute content in the glassy polymeric phase at fixed temperature and solute fugacity, and is compared to the experimental data. The NE-PHSC model predictions require pure component and binary EoS parameters, together with the value of the glassy polymer density during sorption. Several common glassy polymers, as well as a high free volume fluoropolymer, have been considered to test the model ability to represent the thermodynamic properties of glassy gas–polymer mixtures. A comparison between the performance of two NE-PHSC models, endowed with different expressions for the interaction potential, is also presented, offering interesting conclusions on their accuracy in the representation of the thermodynamic properties of relatively high-density systems. The results obtained in this work show that the NET-GP approach provides a reliable description of the properties of homogeneous glassy mixtures.
F. Doghieri, M.G. De Angelis, M. Giacinti Baschetti, G.C. Sarti (2006). Solubility of gases and vapors in glassy polymers modelled through non-equilibrium PHSC theory. FLUID PHASE EQUILIBRIA, 241(1-2), 300-307 [10.1016/j.fluid.2005.12.040].
Solubility of gases and vapors in glassy polymers modelled through non-equilibrium PHSC theory
DOGHIERI, FERRUCCIO;DE ANGELIS, MARIA GRAZIA;GIACINTI BASCHETTI, MARCO;SARTI, GIULIO CESARE
2006
Abstract
Abstract Well established equation-of-state (EoS) models from Perturbed Hard Sphere Chain Theory have been adopted within the framework of non-equilibrium thermodynamics for glassy polymers (NET-GP) to describe the solubility of small penetrants in glassy polymers. The procedure presented here parallels the one already applied to the Lattice Fluid EoS, obtaining the Non-Equilibrium Lattice Fluid (NELF) model. The solubility is calculated as pseudo-equilibrium solute content in the glassy polymeric phase at fixed temperature and solute fugacity, and is compared to the experimental data. The NE-PHSC model predictions require pure component and binary EoS parameters, together with the value of the glassy polymer density during sorption. Several common glassy polymers, as well as a high free volume fluoropolymer, have been considered to test the model ability to represent the thermodynamic properties of glassy gas–polymer mixtures. A comparison between the performance of two NE-PHSC models, endowed with different expressions for the interaction potential, is also presented, offering interesting conclusions on their accuracy in the representation of the thermodynamic properties of relatively high-density systems. The results obtained in this work show that the NET-GP approach provides a reliable description of the properties of homogeneous glassy mixtures.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
