Molecular Dynamcics simulations of superthermal kinetic energies of He atoms evaporating from dodecane

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Abstract

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.

Bibliographical metadata

Original languageEnglish
Pages (from-to)53-57
Number of pages4
JournalCHEMICAL PHYSICS LETTERS
Volume629
DOIs
StatePublished - 15 Apr 2015