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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
DOI original:https://doi.org/10.1016/j.cplett.2015.04.008
Parent Title (English):Chemical Physics Letters
Document Type:Article
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
First Page:53
Last Page:57
Link to catalogue:1805892150
Institutes:Fakultät II - Maschinenbau und Bioverfahrenstechnik
DDC classes:660 Technische Chemie
Licence (German):License LogoCreative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International