Analysis of Reaction Rates by Computer Methods

Abstract

A set of Fortran 4 programs successfully used for analysis of chemical rate data are described. The programs use both the method of integration and that of differentiation to assign reaction orders, rate constants, and estimates of uncertainty. Highly reliable results can be obtained by use of these methods in combination. Experimental data, consisting of time and concentration-dependent variables, are analyzed to produce the constants characteristic of the reaction being studied. The Fortran 4 programs, written for a GE 200 series machine, are described. Details of use, input and output format, and program limitations are given. FORTRAN listings of the two computer programs are included.

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Document Details

Document Type
Technical Report
Publication Date
Nov 01, 1971
Accession Number
AD0752102

Entities

People

  • Matthew L. Herz

Organizations

  • United States Army Soldier Systems Center

Tags

DTIC Thesaurus Topics

  • Chemical Kinetics
  • Chemical Reactions
  • Computer Programming
  • Computer Programs
  • Computers
  • Curve Fitting
  • Data Analysis
  • Equations
  • Experimental Data
  • Information Science
  • Insensitive Explosives
  • Kinetics
  • Linear Regression Analysis
  • Procedures (Computers)
  • Reaction Orders
  • Regression Analysis
  • Statistical Analysis

Readers

  • Computer Science.
  • Molecular and Cellular Biochemistry
  • Regression Analysis.