Accession Number : AD0680043

Title :   GENERAL FORMULATION AND NUMERICAL SOLUTION OF REACTION RATE PROBLEMS,

Corporate Author : CALIFORNIA UNIV BERKELEY THERMAL SYSTEMS DIV

Personal Author(s) : Purgalis,Peteris ; Sawyer,Robert F.

Report Date : JUN 1968

Pagination or Media Count : 93

Abstract : A scheme for constructing the rate equations for a general chemical reaction mechanism consisting of any number of elementary equations and chemical species was devised. The elementary reaction equations do not require special coding and can be written in terms of their chemical symbols. The construction of the rate equations and their solution using the fourth order Runge-Kutta method were programmed for the CDC-6400 computer. The equations can be solved for the following conditions: Isothermal constant volume; isothermal constant pressure; specified temperature and pressure variaton; adiabatic constant volume; adiabatic constant pressure; adiabatic with specified pressure variation. The adiabatic cases can be modified by allowing heat transfer. A description of the computer program and sample calculations are presented. (Author)

Descriptors :   (*REACTION KINETICS, COMPUTER PROGRAMMING), (*COMBUSTION, REACTION KINETICS), GASES, CHEMICAL REACTIONS, VOLUME, PRESSURE, THERMOCHEMISTRY

Subject Categories : Physical Chemistry
      Crystallography

Distribution Statement : APPROVED FOR PUBLIC RELEASE