ISSN:
1572-8951
Schlagwort(e):
Zeolites
;
diffusion
;
molecular dynamics
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract Molecular dynamics simulation techniques have been used to study the diffusion of methane, ethane, propane and i-butane into the zeolite ZSM-5. From the trajectories, the mean-square displacements were obtained and the diffusion coefficients determined using Einstein's diffusion equation. The results, when compared to the available experimental data, indicate that the simulations can provide a realistic representation of the microscopic process of diffusion into the zeolite pores.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1023/A:1008279021220
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