Enhancing predictive capability of models for solubility and permeability in polymers and composites

Albahrani, Abdullah Abdulmohsen A (2023) Enhancing predictive capability of models for solubility and permeability in polymers and composites, [Dissertation thesis], Alma Mater Studiorum Università di Bologna. Dottorato di ricerca in Ingegneria civile, chimica, ambientale e dei materiali, 34 Ciclo. DOI 10.48676/unibo/amsdottorato/10463.
Documenti full-text disponibili:
[img] Documento PDF (English) - Richiede un lettore di PDF come Xpdf o Adobe Acrobat Reader
Disponibile con Licenza: Creative Commons Attribution Non-commercial No Derivatives 4.0 (CC BY-NC-ND 4.0) .
Download (4MB)


The interpretation of phase equilibrium and mass transport phenomena in gas/solvent - polymer system at molten or glassy state is relevant in many industrial applications. Among tools available for the prediction of thermodynamics properties in these systems, at molten/rubbery state, is the group contribution lattice-fluid equation of state (GCLF-EoS), developed by Lee and Danner and ultimately based on Panayiotou and Vera LF theory. On the other side, a thermodynamic approach namely non-equilibrium lattice-fluid (NELF) was proposed by Doghieri and Sarti to consistently extend the description of thermodynamic properties of solute polymer systems obtained through a suitable equilibrium model to the case of non-equilibrium conditions below the glass transition temperature. The first objective of this work is to investigate the phase behaviour in solvent/polymer at glassy state by using NELF model and to develop a predictive tool for gas or vapor solubility that could be applied in several different applications: membrane gas separation, barrier materials for food packaging, polymer-based gas sensors and drug delivery devices. Within the efforts to develop a predictive tool of this kind, a revision of the group contribution method developed by High and Danner for the application of LF model by Panayiotou and Vera is considered, with reference to possible alternatives for the mixing rule for characteristic interaction energy between segments. The work also devotes efforts to the analysis of gas permeability in polymer composite materials as formed by a polymer matrix in which domains are dispersed of a second phase and attention is focused on relation for deviation from Maxwell law as function of arrangement, shape of dispersed domains and loading.

Tipologia del documento
Tesi di dottorato
Albahrani, Abdullah Abdulmohsen A
Dottorato di ricerca
Settore disciplinare
Settore concorsuale
Parole chiave
Gas Solubility - Polymer Composite - Permeability– Thermodynamic Modelling – Glass Transition
Data di discussione
10 Luglio 2023

Altri metadati

Statistica sui download

Gestione del documento: Visualizza la tesi