Accession Number:

AD0752102

Title:

Analysis of Reaction Rates by Computer Methods

Descriptive Note:

Technical rept. Apr-Jul 1971

Corporate Author:

ARMY NATICK LABS MA CLOTHING AND PERSONAL LIFE SUPPORT EQUIPMENT LAB

Personal Author(s):

• Herz, Matthew L.

Report Date:

1971-11-01

Pagination or Media Count:

48.0

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.

Descriptors:

• *COMPUTER PROGRAMS
• *REACTION KINETICS
• CONCENTRATION(CHEMISTRY)
• CURVE FITTING
• DIFFERENTIAL EQUATIONS
• LEAST SQUARES METHOD
• NUMERICAL INTEGRATION

Subject Categories:

• Physical Chemistry
• Computer Programming and Software

Distribution Statement:

APPROVED FOR PUBLIC RELEASE