NDLI: Simulation of heterogeneous atom recombination on spacecraft heat shield coatings using the methods of molecular dynamics

Content Provider	Springer Nature Link
Author	Kovalev, V. L. Pogosbekyan, M. Yu.
Copyright Year	2007
Abstract	An efficient method of investigating the processes of interaction between gas mixtures and catalytic surfaces is developed within the framework of classical molecular dynamics. The recombination and chemical-energy accommodation coefficients on the catalytic surface can be determined with fewer computational resources than in the quantum-mechanical and semiclassical approaches. Oxygen atom recombination on a β-cristobalite surface of the type frequently used in spacecraft heat shield systems is investigated. The probability of atom recombination and the recombination energy accommodation coefficient obtained are in satisfactory agreement with the available experimental data and calculations made by means of the semiclassical method. The hypothesis that the probability of the Eley-Rideal reaction decreases and the probability of atom adsorption increases with increase in the atom collision energy is confirmed. It is attributable to the tendency of atoms to be trapped in the potential well and be desorbed in the atomic state when the surface collision energy is high instead of entering into a recombination reaction and then being desorbed in the molecular state.
Starting Page	666
Ending Page	672
Page Count	7
File Format	PDF
ISSN	00154628
Journal	Fluid Dynamics
Volume Number	42
Issue Number	4
e-ISSN	15738507
Language	English
Publisher	Nauka/Interperiodica
Publisher Date	2007-01-01
Publisher Place	Moscow
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	heterogeneous catalytic processes hypersonic flows molecular dynamics Fluid- and Aerodynamics Classical Continuum Physics Mechanics Engineering Fluid Dynamics
Content Type	Text
Resource Type	Article
Subject	Fluid Flow and Transfer Processes Physics and Astronomy Mechanical Engineering

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