Scattering, Adsorption, and Langmuir-Hinshelwood Desorption Models for Physisorptive and Chemisorptive Gas-Surface Systems

Abstract

Surface effects limit the performance of hypersonic vehicles, micro-electro-mechanical devices, and directed energy systems. This research develops methods to predict adsorption, scattering, and thermal desorption of molecules on a surface. These methods apply to physisorptive (adsorption and scattering) and chemisorptive (thermal desorption) gas-surface systems, and are developed under the Direct Simulation Monte Carlo construct. The novel adsorption and scattering contribution, the Modified Kisliuk with Scattering method, predicts angular and energy distributions, and adsorption probabilities. These results agree more closely with experiment than the state-of-the-art Cercignani-Lampis-Lord scattering kernel. Super-elastic scattering is predicted. Gas-adlayer interactions are included for the first time. The new thermal desorption model accurately predicts angular and energy distributions. The equations of motion are non-dimensionalized. Accurate timing is included. Initial conditions are chosen from a new truncated Maxwell- Boltzmann distribution. The absorption energy barrier is shown to significantly contribute only to translational energy.

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Document Details

Document Type
Technical Report
Publication Date
Sep 01, 2013
Accession Number
ADA589351

Entities

People

  • Brook I. Bentley

Organizations

  • Air Force Institute of Technology

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Air Force
  • Air Force Research Laboratories
  • Angular Momentum
  • Chemical Reactions
  • Computational Fluid Dynamics
  • Computational Science
  • Crystal Structure
  • Density Functional Theory
  • Desorption
  • Energy Transfer
  • Equations Of Motion
  • Geometry
  • Molecular Dynamics
  • Monte Carlo Method
  • Phase Transformations
  • Two Dimensional
  • United States Government

Fields of Study

  • Physics

Readers

  • Computational Modeling and Simulation
  • Electrochemical Engineering/ Fuel Cell Technologies
  • Molecular Photonics/Laser Physics

Technology Areas

  • Directed Energy
  • Hypersonics
  • Hypersonics - Hypersonic Flight
  • Microelectronics