Thermodynamic consistency of data banks

D. Miklós, S. Kemény, G. Almásy, K. Kollár-Hunek

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

Data sets originated from different sources are typically used simultaneously either in data banks or in data bases of flowsheeting programs. If these data sets concern different kinds of data, they ought to be in accordance with the laws of thermodynamics. This is not assured, however, and in many cases it is not even checked. Methods used for data compilation rely on approximate models, which may bias the residuals. Two model-free methods are proposed, where the residuals of the thermodynamic differential equations are investigated. The first method is a χ2 test based on a quadratic form of the f residuals, involving variances of the elementary measurements, if they are available. The second method is a rather sensitive trend/shift analysis of residuals, which does not require the knowledge of error variances. The examples are the Clausius-Clapeyron equation, a binary vapor-liquid equilibrium data set and a simultaneous treatment of PVT and caloric data.

Original languageEnglish
Pages (from-to)89-113
Number of pages25
JournalFluid Phase Equilibria
Volume110
Issue number1-2
DOIs
Publication statusPublished - 1995

Fingerprint

Thermodynamics
thermodynamics
liquid-vapor equilibrium
data bases
Phase equilibria
Differential equations
differential equations
trends
shift

Keywords

  • data treatment
  • methods of calculation
  • mixtures
  • pure compounds
  • theory
  • thermodynamic consistency

ASJC Scopus subject areas

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

Cite this

Thermodynamic consistency of data banks. / Miklós, D.; Kemény, S.; Almásy, G.; Kollár-Hunek, K.

In: Fluid Phase Equilibria, Vol. 110, No. 1-2, 1995, p. 89-113.

Research output: Contribution to journalArticle

Miklós, D, Kemény, S, Almásy, G & Kollár-Hunek, K 1995, 'Thermodynamic consistency of data banks', Fluid Phase Equilibria, vol. 110, no. 1-2, pp. 89-113. https://doi.org/10.1016/0378-3812(95)02745-Z
Miklós, D. ; Kemény, S. ; Almásy, G. ; Kollár-Hunek, K. / Thermodynamic consistency of data banks. In: Fluid Phase Equilibria. 1995 ; Vol. 110, No. 1-2. pp. 89-113.
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