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  • 11
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 10350-10360 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present results from molecular beam experiments and classical trajectory calculations of CF3Br scattering from graphite. Direct inelastic scattering dominates for initial translational energies Etr=0.6–3.5 eV and surface temperatures Ts=500–1170 K. An increase in the CF3Br vibrational temperature is observed in the scattered flux using the method of electron impact-induced fragmentation. The vibrational excitation depends on Etr and Ts, and a maximum vibrational temperature increase of 254±15 K is reached for Etr=3.5 eV and Ts=830 K. The vibrational excitation, angular distributions, and average translational energies are semi-quantitatively reproduced by classical trajectory calculations, indicating that the vibrational excitation can be explained by an electronically adiabatic "mechanical" process. The calculations suggest that a large fraction of the incident molecules experience multiple collisions with the surface. These transiently trapped molecules are slowly vibrationally excited while moving long distances, and are not thermalized even after 100 ps on the surface. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 12
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 10339-10349 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report on molecular beam experiments and molecular dynamics simulations of xenon scattering with incident energies E=0.06−5.65 eV from graphite. The corrugation felt by an atom interacting with the surface is found to be influenced by both surface temperature, Ts, and E. Angular distributions are significantly broadened when Ts is increased, clearly indicating corrugation induced by thermal motion of the surface also at the highest E employed. Direct scattering dominates for high E, while trapping becomes important for kinetic energies below 1 eV. The coupling between atom translation and surface modes in the normal direction is very effective, while trapped atoms only slowly accommodate their momentum parallel to the surface plane. The very different coupling normal and parallel to the surface plane makes transient (incomplete) trapping-desorption unusually pronounced for the Xe/graphite system, and atoms may travel up to 50 nm on the surface before desorption takes place. The nonlocal and soft character of the Xe-graphite interaction compared to interactions with close packed metal surfaces explains the observed high trapping probabilities and the lack of structural corrugation effects at high kinetic energies. Experimental results and simulations are in good agreement for a wide range of initial conditions, and we conclude that the model contains the most essential features of the scattering system. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 13
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 108 (1998), S. 5888-5897 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Classical trajectory calculations of (H2O)n+(H2O)n collisions are carried out for n=125 and n=1000. We investigate energy redistribution and fragmentation behavior for relative collision velocities up to 3000 ms−1, impact parameters up to 4 nm, and initial cluster temperatures of 160 and 300 K. Three main scattering channels are identified; coalescence, stretching separation, and shattering collisions. For small impact parameters, low collision velocities produce coalesced clusters while high velocities yield shattering behavior. Large impact parameters combined with high velocities result in stretching separation collisions. A decreased internal temperature influences the dynamics by increasing the stability of the collision complex. The results for (H2O)125 and (H2O)1000 are comparable, although the smaller size allows individual molecules to have a larger influence on the overall behavior. We find good agreement between the cluster simulations and experimental data for water drops in the micrometer range concerning the transition between coalescence and stretching separation, which shows that the clusters in some respects resemble "macroscopic" objects. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 14
    ISSN: 1588-2837
    Keywords: Potassium desorption ; work function ; iron catalyst
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The surface conditions of an industrial iron catalyst were monitoredin situ by work function measurements and measurements of thermal desorption of potassium ions. Changes in activation energy for potassium ion desorption and in work function values during catalyst activation and deactivation are discussed in terms of the potassium coverage and chemical composition of the catalyst surface.
    Type of Medium: Electronic Resource
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