Computational Study of Chemical Reaction Dynamics at the Gas-Solid Interface.

Abstract

Using computer simulations an investigation was carried out describing the conditions under which a heterogeneously catalyzed reaction will enhance the deposit of energy into laser-active modes. The model describes the internal vibration-rotation states of diatomic molecules as they are formed and adsorbed from the surface. In addition an attempt is made to understand the particular features in the potential which lead to particular internal states. (Author)

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Document Details

Document Type
Technical Report
Publication Date
Nov 10, 1977
Accession Number
ADA050893

Entities

People

  • G. Wolken

Organizations

  • Battelle Memorial Institute

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemical Lasers
  • Chemical Reactions
  • Computer Simulations
  • Computers
  • Desorption
  • Diatomic Molecules
  • Endothermic Reactions
  • Energy
  • Energy Transfer
  • Equations
  • Exothermic Reactions
  • Kinetic Energy
  • Molecules
  • Pattern Recognition
  • Potential Energy
  • Recognition
  • Simulations

Fields of Study

  • Physics

Readers

  • Molecular Photonics/Laser Physics
  • Quantum Chemistry
  • Systems Analysis and Design

Technology Areas

  • Directed Energy