The effect of flake orientational order on the permeability of barrier membranes: Numerical simulations and predictive models

Journal of Membrane Science

Volumn 514, Issue , 2016, Pages 95-104

  Dondero, Marco ^a   Tomba, J Pablo ^a   Cisilino, Adrián P ^a  

^a UNIVERSIDAD NACIONAL DE MAR DEL PLATA   (Argentina)

Author keywords

Analytical model; Barrier membranes; Numerical simulation; Orientational order; Permeability

Indexed keywords

ANALYTICAL MODELS; ASPECT RATIO; COMPUTER SIMULATION; DIFFUSION; MECHANICAL PERMEABILITY; MICROSTRUCTURAL EVOLUTION; NUMERICAL MODELS;

BARRIER MEMBRANE; BOUNDARY ELEMENT MODELS; LIMITING BEHAVIOR; MICROSTRUCTURAL FEATURES; MODEL PREDICTION; ORIENTATIONAL ORDERINGS; PREDICTIVE MODELS; REPRESENTATIVE VOLUME ELEMENT (RVE);

DIFFUSION BARRIERS;

ARTICLE; DIFFUSION; MEMBRANE MODEL; MEMBRANE PERMEABILITY; MEMBRANE STRUCTURE; PERMEABILITY BARRIER; PREDICTION; PRIORITY JOURNAL; SIMULATION;

EID: 84964955463     PISSN: 03767388     EISSN: 18733123     Source Type: Journal    
DOI: 10.1016/j.memsci.2016.04.064     Document Type: Article

References (20)

1. Lape N.K., Nuxoll E.E., Cussler E.L. Polydisperse flakes in barrier films. J. Membr. Sci. 2004, 236:29-37.
2. Wang K., Zhao P., Yang H., Liang S., Zhang Q., Du R., Fu Q., Yu Z., Chen E. Unique clay orientation in the injection-molded bar of isotactic polypropylene/clay nanocomposite. Polymer 2006, 47:7103-7110.
3. Nielsen L.E. Models for the permeability of filled polymer systems. J. Macromol. Sci. A 1967, 1:929-942.
4. Fredrickson G.H., Bicerano J. Barrier properties of oriented disk composites. J. Chem. Phys. 1999, 110(4):2181. 10.1063/1.477829.
5. Bharadwaj R.K. Modeling the barrier properties of polymer-layered silicate nanocomposites. Macromolecules 2001, 34(26):9189-9192. 10.1021/ma010780b.
6. Fisch M., Kumar S. Introduction to liquid crystals in Liquid Crystals: Experimental Study of Physical Properties and Phase Transitons 2001, Cambridge University Press, New York. 2nd ed. S. Chandrasekhar (Ed.).
7. Wrobel L.C. The Boundary Element method: Applications in Thermo-fluids and Acoustics 2002, John Wiley And Sons.
8. Liu Y.L., Nishimura N. The fast multipole boundary element method for potential problems: a tutorial. Eng. Anal. Bound. Elem. 2006, 30(5):371-381.
9. Chen X., Papathanasiou T.D. Barrier properties of flake-filled membranes: review and numerical evaluation. J. Plast. Film. Sheet. 2007, 23(4):319-346. 10.1177/875608790708843747.
10. Dondero M., Cisilino A.P., Tomba J.P. Experimental validation of computational models for mass transport through micro heterogeneous membranes. J. Membr. Sci. 2013, 437:25-32. 10.1016/j.memsci.2013.02.039.
11. Dondero M., Cisilino A.P., Carella J.M., Tomba J.P. Effective thermal conductivity of functionally graded random micro-heterogeneous materials using representative volume element and BEM. Int. J. Heat. Mass Transf. 2011, 54:3874-3881.
12. Nemat-Nasser S., Hori M. Micromechanics: Overall Properties of Heterogeneous Materials 1999, Elsevier Science, Amsterdam.
13. Press W.H., Teukolsky S.A., Vetterling W.T., Flannery B.P. Numerical Recipes: The Art of Scientific Computing 2002, Cambridge University Press, Cambridge.
14. Minelli M., Baschetti M.G., Doghieri F. A comprehensive model for mass transport properties in nanocomposites. J. Membr. Sci. 2011, 381(1-2):10-20. 10.1016/j.memsci.2011.06.036.
15. Aris R. On a problem in hindered diffusion. Arch. Ration. Mech. Anal. 1986, 18:83-91.
16. Greco A., Maffezzoli A. Two-dimensional and three-dimensional simulation of diffusion in nanocomposite with arbitrarily oriented lamellae. J. Membr. Sci. 2013, 442:238-244. 10.1016/j.memsci.2013.04.038.
17. Greco A. Numerical simulation and mathematical modeling of 2D multi-scale diffusion in lamellar nanocomposite. Comput. Mater. Sci. 2014, 90:203-209. 10.1016/j.commatsci.2014.04.017.
18. Eitzman D.M., Melkote R.R., Cussler E.L. Barrier membranes with tipped impermeable flakes. AIChE J. 1996, 42(1):2-9. 10.1002/aic.690420103.
19. Lusti H.R., Gusev A.A., Guseva O. The influence of platelet disorientation on the barrier properties of composites: a numerical study. Model. Simul. Mater. Sci. Eng. 2004, 12:1201-1207. 10.1088/0965-0393/12/6/013.
20. Dondero M., Cisilino A.P., Tomba J.P. Numerical design of random micro-heterogeneous materials with functionally-graded effective thermal conductivities using genetic algorithms and the fast boundary element method. Comput. Model. Eng. Sci. 2011, 78(3):225-245.