Diffusion Theory of Reaction Rates. I. Formulation and Einstein - Smoluchowski Approximation.

Abstract

The diffusion model of reaction rates is rederived and extended. The derivation is based on a clear physical picture of the molecular events. The origin of the stochastic forces is also clearly treated. Classical mechanics is used throughout. This paper, uses the Einstein-Smoluchowski approximation and, thus, considers, a diffusion model in position space only. The diffusion equations is non-demensionalized and a number of singular perturbation problems are obtained. By using the diffusion model, one can treat a number of problems involving reaction rate theory. A new form of transition state theory is derived. Calculate reaction rate constants, transmission coefficients and the lifetime of the activated complex are calculated.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Jan 01, 1978
Accession Number
ADA058541

Entities

People

  • Marc Mangel

Organizations

  • Center for Naval Analyses

Tags

Communities of Interest

  • Energy and Power Technologies
  • Human Systems
  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Agreements
  • Brownian Motion
  • Chemical Reaction Properties
  • Chemical Reactions
  • Differential Equations
  • Diffusion Theory
  • Eigenvalues
  • Equations
  • Fokker Planck Equations
  • Formic Acid
  • Heat Of Activation
  • Mechanics
  • Molecular Mechanics Methods
  • Perturbations
  • Physics
  • Potential Energy
  • Spectra

Readers

  • Calculus or Mathematical Analysis
  • Combustion science or combustion engineering.

Technology Areas

  • Space
  • Space - Orbital Debris