Modeling of diffusion through nanocomposite membranes

• Published in: Journal of non-Newtonian fluid mechanics Vol. 131; no. 1; pp. 32 - 43
• Main Authors: Liu, Quan, De Kee, D.
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 30-11-2005; Elsevier
• Subjects: Applied sciences; Complex interface; Composites; Exact sciences and technology; Forms of application and semi-finished materials; Nanocomposite membrane; Non-Fickian diffusion; Polymer industry, paints, wood; Technology of polymers; Complex interface; Nanocomposite membrane; Non-Fickian diffusion; Clay; Transport properties; Theoretical study; Polymer; Dispersion reinforced material; Permeability; Modeling; Composite material; Molecule scattering; Kinetic model; Non-Fickian diffusion;e Nanocomposite membrane; One dimensional model; Membrane; Nanocomposite
• ISSN: 0377-0257; 1873-2631
• DOI: 10.1016/j.jnnfm.2005.08.006

The diffusion process of a simple fluid through a complex polymer/clay nanocomposite membrane embedding a complex interface is modeled using the generalized bracket/General Equation for Non-Equilibrium Reversible and Irreversible Coupling (GENERIC) formalism. The complex interface is characterized, on a mesoscopic level of description, by a second-order area tensor
A. A set of governing equations describing the time evolution of concentration, flux, internal structure (of the complex polymeric membrane) and area tensor is obtained. Four parameters appear in the governing equations. Two parameters characterize the importance of elasticity and mixing and the remaining two parameters account for the effects of the complex interface. An extension of Fick's second law, which includes the convective fluxes due to the change of polymer internal structure and complex interface, is derived for the flux evolution. The model describes the diffusion process quantitatively quite well.