Association/Dissociation Processes in Dense Gases.

Abstract

A new basic microscopic theory of association/dissociation processes in dense gases has been developed. Expressions for the time-dependent rates R (subscript A, D)(t) for the association/dissociation of atomic or molecular species A and B in a gas M are formulated in terms of the net probability P sub i (superscript A, D) for association/dissociation of bound energy level i of the pair (A-B). A new Variational Principle for these rates is proposed and is applied to ion-ion recombination, as a benchmark, with very successful results. The diffusional theory is examined and it is shown that highly accurate results can be obtained for general mass systems provided the new basic expression introduced here for R (sub (A,D))(t) is adopted. The microscopic basis of the mascroscopic Debye-Smoluchowski Equation (DSE) is examined and analytical expressions for rates are derived for general interactions between A and B. A valuable relationship between the rates of recombination appropriate to the cases of ions generated with uniform frequency within a reaction volume and ions which approach each other from infinite separation is derived.

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Document Details

Document Type
Technical Report
Publication Date
Aug 16, 1985
Accession Number
ADA160236

Entities

People

  • M. R. Flannery

Organizations

  • Georgia Tech

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Air Force
  • Angular Momentum
  • Boltzmann Equation
  • Chemical Reactions
  • Computational Science
  • Differential Equations
  • Energy
  • Energy Transfer
  • Frequency
  • Kinetic Energy
  • Kinetics
  • Mechanics
  • Molecular Dynamics
  • Quantum Mechanics
  • Three Dimensional
  • Two Dimensional
  • Variational Principles

Readers

  • Computational Fluid Dynamics (CFD)
  • Molecular Genetics
  • Plasma Physics.