Development of a Program to Calculate Liquid-Liquid Phase Equilibria in Multicomponent Systems Consist of Organic Substances

Abstract

This report documents Fortran version of a chemical thermodynamic model for calculating liquid-liquid equilibria in mixtures of organic compounds. The model applies the Gibbs energy minimization method for phase equilibria computation combined with the UNIFAC routine and thermodynamic database for calculating activity coefficients of organic substances in multicomponent organic liquids on the basis of the group contribution theory. The model can be extended without modifications of the Gibbs energy minimization program to take into account also chemical interactions between organic components.

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Document Details

Document Type
Technical Report
Publication Date
Jan 01, 1992
Accession Number
ADA389386

Entities

People

  • M. V. Mironenko

Organizations

  • Russian Academy of Sciences

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Algorithms
  • Analytical Chemistry
  • Chemical Elements
  • Chemical Equilibrium
  • Chemistry
  • Coefficients
  • Computations
  • Computer Programming
  • Computer Programs
  • Databases
  • Equations
  • Iterations
  • Linear Programming
  • Liquid Phases
  • Liquids
  • Nonlinear Programming
  • Simplex Method

Fields of Study

  • Chemistry

Readers

  • Combustion science or combustion engineering.
  • Computational Modeling and Simulation
  • Organic Chemistry