Activated diffusion in relaxed porous clusters

Chemical Engineering Science

Volumn 62, Issue 8, 2007, Pages 2242-2253

  Srebnik, Simcha ^a   Yungerman, Irena ^a   Kohav, Gil ^a   Sheintuch, Moshe ^a  

^a TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

Author keywords

Activated diffusion; Cluster cluster aggregation; Porous solids

Indexed keywords

COMPUTER SIMULATION; MATHEMATICAL MODELS; PARAMETER ESTIMATION; POROSITY; POROUS MATERIALS;

ACTIVATED DIFFUSION; CLUSTER CLUSTER AGGREGATION (CCA); POROUS SOLIDS;

DIFFUSION;

COMPUTER SIMULATION; DIFFUSION; MATHEMATICAL MODELS; PARAMETER ESTIMATION; POROSITY; POROUS MATERIALS;

EID: 33947140220     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ces.2007.01.023     Document Type: Article

References (31)

1. Arya G., Maginn E.J., and Chang H.C. Effect of the surface energy barrier on sorbate diffusion in alpo4-5. Journal of Physical Chemistry B 105 (2001) 2725-2735
2. Bhatia S.K. Influence of adsorbate interaction on transport in confined spaces. Adsorption Science & Technology 24 (2006) 101-116
3. Coppens M.O., Bell A.T., and Chakraborty A.K. Dynamic Monte Carlo and mean-field study of the effect of strong adsorption sites on self-diffusion in zeolites. Chemical Engineering Science 54 (1999) 3455-3463
4. Deen W.M. Analysis of Transport Phenomena (1998), Oxford University Press, New York
5. Elias-Kohav T., Sheintuch M., and Avnir D. Steady-state diffusion and reactions in catalytic fractal porous-media. Chemical Engineering Science 46 (1991) 2787-2798
6. Feder J. Fractals (1988), Plenum, New York
7. Froment G.F., and Bischoff K.B. Chemical Reactor Analysis and Design (1990), Wiley, New York
8. Ghassemzadeh J., Xu L.F., Tsotsis T.T., and Sahimi M. Statistical mechanics and molecular simulation of adsorption in microporous materials: pillared clays and carbon molecular sieve membranes. Journal of Physical Chemistry B 104 (2000) 3892-3905
9. Gutfraind R., Sheintuch M., and Avnir D. Multifractal scaling analysis of diffusion-limited reactions with devils staircase and cantor set catalytic structures. Chemical Physics Letters 174 (1990) 8-12
10. Iijima S. Helical microtubules of graphitic carbon. Nature 354 (1991) 56-58
11. Isliker H., and Vlahos L. Random walk through fractal environments. Physical Review E 67 (2003)
12. Jain, S.K., Fuhr, J., Pellenq, R.J.M., Bichara, C., Gubbins, K.E., 2005. Stability of porous carbon structures obtained from reverse Monte Carlo using tight binding and bond order hamiltonians. Surface Science & Catalysis [Proceedings of COPS VII].
13. Jepps O.G., Bhatia S.K., and Searles D.J. Wall mediated transport in confined spaces: exact theory for low density. Physical Review Letters 91 (2003)
14. Käerger J., and Ruthven D.M. Diffusion in Zeolites and Other Microporous Solids (1992), Wiley, New York
15. Karayiannis N.C., Mavrantzas V.G., and Theodorou D.N. Diffusion of small molecules in disordered media: study of the effect of kinetic and spatial heterogeneities. Chemical Engineering Science 56 (2001) 2789-2801
16. Keil F.J. Diffusion and reaction in porous networks. Catalysis Today 53 (1999) 245-258
17. Keil F.J., Hinderer J., and Garayhi A.R. Diffusion and reaction in zsm-5 and composite catalysts for the methanol-to-olefins process. Catalysis Today 50 (1999) 637-650
18. Lam R., Basak T., Vlachos D.G., and Katsoulakis M.A. Validation of mesoscopic theory and its application to computing concentration dependent diffusivities. Journal of Chemical Physics 115 (2001) 11278-11288
19. Mandelbrot B.B. The Fractal Geometry of Nature (1983), W.H. Freeman, New York
20. Meakin P. Formation of fractal clusters and networks by irreversible diffusion-limited aggregation. Physical Review Letters 51 (1983) 1119-1122
21. Meakin P. A historical introduction to computer models for fractal aggregates. Journal of Sol-Gel Science and Technology 15 (1999) 97-117
22. Mo W.T., and Wei J. Effective diffusivity in partially blocked zeolite catalyst. Chemical Engineering Science 41 (1986) 703-710
23. Pfeifer P., Obert M., and Cole M.W. Fractal bet and fhh theories of adsorption-a comparative-study. Proceedings of the Royal Society of London Series A-Mathematical Physical and Engineering Sciences 423 (1989) 169-188
24. Rigby S.P., and Gladden L.F. NMR and fractal modelling studies of transport in porous media. Chemical Engineering Science 51 (1996) 2263-2272
25. Sahimi M., and Tsotsis T.T. Molecular pore network models of nanoporous materials. Physica B Condensed Matter 338 (2003) 291-297
26. Sholl D.S. Understanding macroscopic diffusion of adsorbed molecules in crystalline nanoporous materials via atomistic simulations. Accounts of Chemical Research 39 (2006) 403-411
27. Stauffer D. Introduction to Percolation Theory (1985), Taylor and Francis, London
28. Torquato S. Statistical description of microstructures. Annual Review of Materials Research 32 (2002) 77-111
29. Wakao N., and Smith J.M. Diffusion in catalyst pellets. Chemical Engineering Science 17 (1962) 825-834
30. Wakao N., and Smith J.N. Diffusion in catalyst pellets. Chemical Engineering Science 17 (1962) 825-834
31. Zalc J.M., Reyes S.C., and Iglesia E. Monte Carlo simulations of surface and gas phase diffusion in complex porous structures. Chemical Engineering Science 58 (2003) 4605-4617