Collisional Relaxation of Vibrational Energy Transients in the Methylcyclopropane System. A Variable Encounter Method Study.

Abstract

The Variable Encounter Method has been used to study vibrational energy transients in the isomerization of methylcyclopropane to various butenes. This system was studied with reactor surface temperatures of 800 K to 1130 K and average numbers of collisions per encounter with the reactor of 5.6 and 20.0. The reaction rate was treated on the basis of total, rather than individual butene rates, because of butene product interconversion. An exponential model of energy transfer was found to give the best fit to the data with the average down step energy <delta E prime> decreasing from 1860/cm to 1415/cm with increase of temperature over the range studied. Incubation times increased from 14 to 19 collisons with increase in temperture, and these times together with valves of the conventional relative collision efficiency Beta and values of <delta E prime>, are compared with those of other molecules studied by VEM. The calculated transient population distributions and the associated sequential reaction probabilities are also displayed. (Author)

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Document Details

Document Type
Technical Report
Publication Date
Aug 01, 1980
Accession Number
ADA087802

Entities

People

  • Benton Seymour Rabinovitch
  • D. F. Kelley
  • T. Kasai

Organizations

  • University of Washington

Tags

Communities of Interest

  • Weapons Technologies

DTIC Thesaurus Topics

  • Air Force
  • Alkenes
  • Chemical Reactions
  • Chemical Synthesis
  • Chemistry
  • Cyclic Hydrocarbons
  • Demography
  • Energy Transfer
  • High Temperature
  • Military Research
  • Molecules
  • Organic Chemistry
  • Probability
  • Simulations
  • Steady State
  • Universities
  • Weapons

Readers

  • Mathematics or Statistics
  • Molecular Photonics/Laser Physics
  • Organic Chemistry