Accession Number : AD0784867

Title :   Computer Code for Complex Chemical Equilibrium Studies at Elevated Temperatures and Pressures.

Descriptive Note : Final rept. Aug 72-May 73,

Corporate Author : NEW MEXICO UNIV ALBUQUERQUE

Personal Author(s) : Ristau,William T. ; Pritchard,Robert S.

Report Date : AUG 1974

Pagination or Media Count : 134

Abstract : Prediction of the chemical composition of reaction mixtures from pyrolysis reactions and combustion processes can be made through the use of thermodynamics. The chemical equilibrium section of a code for predicting rocket performance was modified for use on a CDC-6600 computer to calculate the chemical equilibrium composition of complex mixtures of hydrocarbons as a function of temperature and pressure. Ancilliary codes supplying the necessary thermodynamic information for the equilibrium calculation are included. Thermodynamic parameters of selected complex molecules up to and including substituted benzenes are included. Results for hydrogen and methane in air are reported. (Modified author abstract)

Descriptors :   *Chemical equilibrium, *Combustion, *Pyrolysis, *Hydrocarbons, Computer programs, Chemical composition, FORTRAN, Thermodynamics, Temperature, Pressure, Methane

Subject Categories : Physical Chemistry
      Computer Programming and Software
      Combustion and Ignition

Distribution Statement : APPROVED FOR PUBLIC RELEASE