Estimation of Gas-Phase Thermokinetic Parameters. Volume I. A Fortran Program for Computing the Thermochemical Properties of Complex Gas Molecules by the Method of Group Additivity. Book 2 - Appendixes

Abstract

A FORTRAN program for calculating the thermodynamic properties of complex gas molecules by the method of group additivity is documented herein. Included are descriptions of the computational method, characteristics, functions, input/output formats, and logic structure of the program. Seventeen case calculations for diversely structured molecules are presented. Also depicted are a listing of the program, a complete glossary of the program variables and the tables of data comprising the data library input.

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Document Details

Document Type
Technical Report
Publication Date
Apr 01, 1973
Accession Number
AD0762614

Entities

People

  • Maria Ramos Martinez

Tags

Communities of Interest

  • Advanced Electronics
  • C4I
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Arithmetic
  • Chemical Kinetics
  • Chemistry
  • Coefficients
  • Computational Science
  • Data Storage Systems
  • Enthalpy
  • Entropy
  • Heat Capacity
  • Heat Energy
  • Heat Of Formation
  • Isomers
  • Molecular Orbital Theory
  • Molecules
  • Plastic Explosives
  • Tank Guns
  • Thermodynamic Properties

Fields of Study

  • Chemistry

Readers

  • Business Analytics
  • Combustion science or combustion engineering.