Lattice modelling of penetrant diffusion through heterogeneous polymers

Polymer

Volumn 41, Issue 16, 2000, Pages 6151-6160

  Hadgett, P M ^a   Goldbeck Wood, G ^a   Windle, A H ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Diffusion; Lattice; Simulation

Indexed keywords

ANISOTROPY; COMPUTER SIMULATION; CRYSTAL LATTICES; DIFFUSION IN SOLIDS; VOLUME FRACTION;

HETEROGENEOUS POLYMERS; MESOSCALE LATTICE MODELS;

POLYMERIC MEMBRANES;

POLYETHYLENE; POLYMER;

ARTICLE; CONTROLLED STUDY; CRYSTAL STRUCTURE; DIFFUSION; IMPEDANCE; MOLECULAR MODEL; PREDICTION; VALIDATION PROCESS;

EID: 0342314464     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0032-3861(99)00826-5     Document Type: Article

References (28)

1. Ashley R.J. Comyn J. Polymer permeability. 1985;Elsevier Applied Science, London.
2. Fels M., Li N.N. Permeability of plastic films and coating to gases, vapors and liquids. Hopfenberg H.B. Polymer science and technology. 6:1974;Plenum Press, New York.
3. Müller-Plathe F. Acta Polym. 45:1994;259.
4. Sok R. Permeation of small molecules across a polymer membrane: a computer simulation study, PhD Thesis, University Of Groningen, 1994.
5. Gusev A.A., Müller-Plathe F., VanGunsteren W.F., Suter U.W. Adv Polym Sci. 116:1994;207.
6. Müller-Plathe F. J Chem Phys. 96:1992;3200.
7. Han J., Boyd R.H. Macromolecules. 27:1994;5365.
8. Han J., Boyd R.H. Polymer. 37:1996;1797.
9. Pant P.V.K., Boyd R.H. Macromolecules. 25:1992;494.
10. Gee R.H., Boyd R.H. Polymer. 36:1995;1435.
11. Takeuchi H., Okazaki K. Makromol Chem Macromol Symp. 65:1993;81.
12. Takeuchi H., Roe R.J., Mark J.E. J Chem Phys. 93:1990;9042.
13. Arizzi S., Mott P.H., Suter U.W. J Polym Sci Part B: Polym Phys. 30:1992;415.
14. Arizzi S, Suter, UW. Abstracts of Papers of the American Chemical Society, 19, 107-PMSE, 1989.
15. Fukuda M., Kuwajima S. J Chem Phys. 107:1997;2149.
16. Hofman D., Ulbrich J., Fritsch D., Paul D. Polymer. 37:1996;4773.
17. Müller-Plathe F. Chem Phys Lett. 177:1991;527.
18. Crank J. The mathematics of diffusion. 2:1956;Oxford University Press, Oxford, UK.
19. Allen M.P., Tildesley D.J. Computer simulation of liquids. 1987;Oxford University Press, Oxford, UK.
20. Takeuchi H., Okazaki K. Mol Simul. 16:1996;59.
21. Müller-Plathe F., Rogers S.C., van Gunsteren W.F. Chem Phys Lett. 199:1992;37.
22. Michaels A.S., Bixler H.J. J Polym Sci. 50:1961;413.
23. Keller A., Goldbeck-Wood G. Aggarwal S.L., Russo S. Comprehensive polymer science suppl. II:1996;Pergamon Press, Oxford, UK.
24. Michaels A.S., Bixler H.J. J Polym Sci. 50:1961;393.
25. Fricke H. Phys Rev. 24:1924;575.
26. Harding S. NMR studies of structure transport relationships in porous media: liquid diffusion in polymers, PhD thesis, University of Cambridge, 1998.
27. Stejskal E.O., Tanner J.E. J Chem Phys. 42:1965;288.
28. Hedenqvist M., Angelstok L., Larsson P.T., Gedde U.W. Polymer. 37:1996;2887.