The Proceedings of Conference of Kansai Branch
Online ISSN : 2424-2756
2000.75
Session ID : 518
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518 Molecular dynamics study on energy transfer in surface reaction process of a diatomic molecule
Eiji TAKAMIMasahiko SHIBAHARAMasashi KATSUKI
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CONFERENCE PROCEEDINGS FREE ACCESS

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Abstract
Collision processes of diatomic molecules to a metallic surface are simulated by the classical molecular dynamics method with using potential energy surface in order to investigate energy transfer and energy change in diatomic molecules at specific initial quantum state. A diatomic molecule is assumed to be a oxygen molecule and metallic surface is assumed as Ag surface. Energy transfer and reaction probability in molecular reaction processes is discussed in the present study.
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© 2000 The Japan Society of Mechanical Engineers
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