General Solution of Reaction Rate Problems via Combined Integration and Steady State Analysis: Application to Nitric Oxide Formation and Decomposition,

Abstract

A computer program has been developed for the construction and integration of the rate equations governing any general chemical reaction mechanism. The mechanism may be comprised of any number of elementary chemical reactions and chemical species. In particular, free-radical reaction schemes may be solved to a controllable degree of accuracy, by using a program option that analyzes the list of components for possible steady state species. Such species are selected within the program and analyzed by substituting algebraic equations for the appropriate differential equations. The application of the program to nitric oxide kinetics is discussed, with particular emphasis on the effect of intermediate species such as nitrogen dioxide and nitrous oxide upon nitric oxide decomposition. (Author)

Document Details

Document Type
Technical Report
Publication Date
Jan 24, 1972
Accession Number
AD0736041

Entities

People

  • Norman M. Laurendeau
  • Robert F. Sawyer

Organizations

  • University of California, Berkeley

Tags

DTIC Thesaurus Topics

  • Chemical Reaction Properties
  • Chemical Reactions
  • Combustion
  • Computer Programs
  • Decomposition
  • Differential Equations
  • Dissociation
  • Equations
  • Free Radicals
  • Nitrogen Oxides
  • Oxides
  • Reaction Mechanisms
  • Steady State

Fields of Study

  • Chemistry

Readers

  • Aquatic Ecology
  • Finite Element Method (FEM) for solving Partial Differential Equations (PDEs)
  • Polymer Science and Technology