MD simulations of He evaporating from dodecane
- The velocity distribution of He atoms evaporating from a slab of liquid dodecane has been simulated. The distribution composed of ∼10 000 He trajectories is shifted to fractionally faster velocities as compared to a Maxwell–Boltzmann distribution at the temperature of the liquid dodecane with an average translational energy of 1.05 × 2RT (or 1.08 × 2RT after correction for a cylindrical liquid jet), compared to the experimental work by Nathanson and co-workers (1.14 × 2RT) on liquid jets. Analysis of the trajectories allows us to infer mechanistic information about the modes of evaporation, and their contribution to the overall velocity distribution.
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| Author: | Mark A. Williams, Sven P. K. KöhlerORCiD |
|---|---|
| URN: | urn:nbn:de:bsz:960-opus4-22750 |
| DOI: | https://doi.org/10.25968/opus-2275 |
| DOI original: | https://doi.org/10.1016/j.cplett.2015.04.008 |
| ISSN: | 0009-2614 |
| Parent Title (English): | Chemical Physics Letters |
| Publisher: | Elsevier |
| Document Type: | Article |
| Language: | English |
| Year of Completion: | 2015 |
| Publishing Institution: | Hochschule Hannover |
| Release Date: | 2022/05/31 |
| Tag: | dodecane; evaporation; liquid jet; molecular dynamics |
| GND Keyword: | Molekulardynamik; Flüssigkeitsstrahl; Dodekan; Verdampfung |
| Volume: | 629 |
| First Page: | 53 |
| Last Page: | 57 |
| Link to catalogue: | 1805892150 |
| Institutes: | Fakultät II - Maschinenbau und Bioverfahrenstechnik |
| DDC classes: | 660 Technische Chemie |
| Licence (German): |  Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International |
