Development of a Database of Thermochemical Parameters for Use with the SOLGASMIX Computer Program

Abstract

After a brief discussion of the theory of chemical equilibrium, the computer program SOLGASMIX, for calculating thermodynamic equilibria in complex chemical systems, is described. Modifications to SOLGASMIX which allow the program to access a database of thermochemical curvefits are discussed. Additional extensions to the SOLGASMIX program, including an interactive user interface, are introduced. Several SOLGASMIX applications are presented in detail, and the results of the program compared with those of other methods. Several additional programs, which allow the user to incorporate the curvefit database in other applications, are described. A number of input examples are given for the each of the various programs, and data punching guides are given where appropriate. The various operating systems supporting the SOLGASMIX system are discussed. An index listing the species in the curvefit databae is included.

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Document Details

Document Type
Technical Report
Publication Date
Jul 01, 1988
Accession Number
ADA197603

Entities

People

  • Jonathan A. Peters

Organizations

  • Pennsylvania State University

Tags

Communities of Interest

  • Advanced Electronics
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Ceramic Materials
  • Chemical Synthesis
  • Chemistry
  • Computer Programs
  • Computers
  • Cyanides
  • Dielectric Gases
  • Inorganic Chemistry
  • Magnesium Compounds
  • Optical Materials
  • Oxide Films
  • Oxygen
  • Sodium Compounds

Readers

  • Combustion science or combustion engineering.
  • Computer Science.