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Quality Assessment Algorithm for Vapor-Liquid Equilibrium Data



Jeongwon Kang, Vladimir Diky, Robert D. Chirico, Joe W. Magee, Chris D. Muzny, Ilmutdin M. Abdulagatov, Andrei F. Kazakov, Michael D. Frenkel


A quality assessment algorithm for vapor-liquid equilibrium (VLE) data has been developed. The proposed algorithm combines four widely used tests of VLE consistency based on the requirements of the Gibbs-Duhem equation with a check of consistency between the VLE binary data and the pure compound vapor pressures. A VLE data-quality criterion was proposed based on the developed algorithm and was implemented in a software application in support of dynamic data. VLE predictions (NRTL and UNIFAC) were deployed to detect possible anomalies in the data sets. The proposed algorithm can be applied to VLE data sets with at least three state variables reported; pressure, temperature, plus liquid and/or vapor composition, and is applicable to all chemical systems at subcritical conditions. Application of the developed algorithms in identification of erroneous published VLE data sets is demonstrated.
Journal of Chemical and Engineering Data


Vapor-Liquid Equilibrium, Consistency Test, Quality Assessment, Quality Criterion


Kang, J. , Diky, V. , Chirico, R. , Magee, J. , Muzny, C. , Abdulagatov, I. , Kazakov, A. and Frenkel, M. (2010), Quality Assessment Algorithm for Vapor-Liquid Equilibrium Data, Journal of Chemical and Engineering Data, [online], (Accessed June 23, 2024)


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Created July 6, 2010, Updated June 2, 2021