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Publication: Thermal Accommodation Coefficients between Polyatomic Gas Molecules and Soot in Laser-Induced Incandescence Experiments

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Title Thermal Accommodation Coefficients between Polyatomic Gas Molecules and Soot in Laser-Induced Incandescence Experiments
Authors/Editors* K. J. Daun
Where published* International Journal of Heat and Mass Transfer
How published* Journal
Year* 2009
Volume
Number
Pages
Publisher
Keywords
Link doi:10.1016/j.ijheatmasstransfer.2009.05.006
Abstract
Time-resolved laser-induced incandescence demands detailed knowledge of the thermal accommodation coefficient, but to date little is understood about the gas/surface scattering physics underlying this parameter in LII experiments. This paper presents a molecular dynamics (MD) simulation that models polyatomic molecules as rigid rotors and soot as crystalline graphite. A Monte Carlo integration over incident gas molecular speeds and surface atomic vibrational phases yields simulated thermal accommodation coefficients that match the experimentally-measured values. The MD simulation is then extended to assess how α changes with gas and soot temperature, and finally to define a Cercignani–Lampis–Lord scattering kernel that will form a boundary condition in future Monte Carlo simulations of heat and mass transfer between soot aggregates and the surrounding gas.
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