Diffusion tensor and molecular jump frequencies in naphthalene single crystals
Overview & Synopsis
A complete method is presented in order to obtain from the macroscopic diffusion tensor a quantitative microscopic model of atomic or molecular displacements. The case of self-diffusion and hetero-diffusion of naphthol-2 in single crystals of naphthalene was chosen. A vacancy mechanism with three possible molecular jumps is found to explain the observed tensor, and its anisotropy. The real jump frequencies (in the range 20 to 80 s-1 for 338 K < T < 348 K) are determined. Experimental jump energies are compared with the theoretical ones.
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Document Information
| Document Title | Diffusion tensor and molecular jump frequencies in naphthalene single crystals |
|---|---|
| Author / Organization | A. Bendani, A. Dautant, L. Bonpunt |
| Subject & Discipline | Multidisciplinary Academic Open Research |
| Categories | Science & Mathematics |
| Publication Year | 1993 |
| License / Rights | Open Access / Creative Commons |
| Resource Verification | Listed PDF (Verification Pending) |
| Original Host Website |
HAL Open Science
(hal.science)
|
| File Format | application/pdf (Portable Document Format) |
| Language | EN |
| Catalog ID | DOC-39838 |
| Original Source Link | Visit Source Page on hal.science » |