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    MD simulations of He evaporating from dodecane

    Williams, MA and Koehler, SPK (2015) MD simulations of He evaporating from dodecane. Chemical Physics Letters, 629. pp. 53-57. ISSN 0009-2614

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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.

    Item Type: Article
    Peer-reviewed: Yes
    Date Deposited: 14 Jul 2017 08:15
    Publisher: Elsevier
    Additional Information: This is an Author Accepted Manuscript of a paper accepted for publication in Chemical Physics Letters, published by and copyright Elsevier.
    Divisions: Faculties > Science and Engineering
    Subject terms: Science & Technology, Physical Sciences, Chemistry, Physical, Physics, Atomic, Molecular & Chemical, Chemistry, Physics, MOLECULAR-DYNAMICS SIMULATIONS, LIQUID SURFACE, FORCE-FIELD, DISTRIBUTIONS, CONDENSATION, DESORPTION, PHASE, WATER, JET, Science & Technology, Physical Sciences, Chemistry, Physical, Physics, Atomic, Molecular & Chemical, Chemistry, Physics, MOLECULAR-DYNAMICS SIMULATIONS, LIQUID SURFACE, FORCE-FIELD, DISTRIBUTIONS, CONDENSATION, DESORPTION, PHASE, WATER, JET, 02 Physical Sciences, 03 Chemical Sciences, 10 Technology, Chemical Physics
    URI: https://e-space.mmu.ac.uk/id/eprint/618754
    DOI: https://doi.org/10.1016/j.cplett.2015.04.008
    ISSN 0009-2614

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