Thermodynamic consistency test for binary VLE data

K. Kollár-Hunek, S. Kemény, K. Héberger, P. Angyal, É Thury

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Abstract

A generalized method for thermodynamic consistency test to binary - isothermal or isobaric - vapor-liquid equilibrium data, based on the isothermal method of Van Ness is proposed. The essential step of the method is to solve the coexistence equation (deduced from the Gibbs-Duhem equation) considering the non--ideality of the vapor phase and possibly the heat of mixing data for the specific system. To calculate the t(x) or P(x) function at equidistant points a cubic spline-polynomial is used rejecting Van Ness' equadratic conditions at the two edges. An algorithm using non-equidistant step sizes - thus without curve fitting - was developed and was applied to systems with complete and limited miscibility as well. The test criteria to be applied to residuals are established on a strict mathematical statistical basis.

Original languageEnglish
Pages (from-to)405-425
Number of pages21
JournalFluid Phase Equilibria
Volume27
Issue numberC
DOIs
Publication statusPublished - 1986

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ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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