Mathematical problems in thermodynamic testing of vapour-liquid equilibrium data

K. Kollar-Hunek, M. Lang-Lazi, S. Kemeny, F. Fejes

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Abstract

A generalized method for thermodynamic consistency to test binary and multicomponent vapour-liquid equilibrium data is reported. The essential step of the method is to solve the coexistence equation (deduced from the Gibbs-Duhem equation). This coexistence equation is an implicit differential equation - an ordinary one in the binary case and a partial one in any other multicomponent case. The unknown function in the differential equation is the molar excess Gibbs energy in all cases. The boundaries of an n-component system consist of the corresponding (n-1) component systems, and the properties of the latter serve also as boundary conditions for the differential equation. Mathematically the following problems arise: - Discretization considering the measured points; - Multivariable interpolation or fitting in the non-binary cases; - Error estimation. Possibilities of the generalization in the n-dimensional space are discussed, and results for the binary and ternary systems are shown.

Original languageEnglish
Pages (from-to)129-133
Number of pages5
JournalHungarian Journal of Industrial Chemistry
Volume22
Issue number2
Publication statusPublished - Dec 1 1994

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ASJC Scopus subject areas

  • Chemistry (miscellaneous)
  • Chemistry(all)
  • Chemical Engineering(all)

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