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Analysis of phase diagrams employing Bayesian excess parameter estimation

Analyse von Phasendiagrammen unter Anwendung des Bayes-Verfahrens

  • Anorganische Und Physikalische Chemie
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Summary

Bayesian estimation of thermodynamic excess quantities was applied to liquidus data of the systems cyclohexane — benzene and potassium chloride — sodium chloride as well as data on the austenite ⇋ ferrite equilibrium of the iron — zinc system. Theoretical considerations (KCl-NaCl) and results from calorimetric or partial pressure studies (Fe-Zn) were used as independenta priori information. The recalculated phase diagrams coincide perfectly with those given in the literature. In each case the thermodynamic significance of the experimental data is discussed.

Zusammenfassung

Zur Ermittlung von thermodynamischen Exzeß-Funktionen aus Liquidus-Daten der Systeme Cyclohexan — Benzol und Kaliumchlorid — Natriumchlorid sowie aus Daten für das Austenit ⇋ Ferrit-Gleichgewicht im System Eisen — Zink wurde das Bayes-Verfahren herangezogen. Ein theoretisches Modell (KCl-NaCl) und Ergebnisse von calorimetrischen bzw. Partialdruck-Messungen (Fe-Zn) wurden als unabhängigea priori Informationen verwendet. Die so berechneten Phasendiagramme fallen sehr genau mit den in der Literatur angegebenen zusammen. In jedem einzelnen Fall wird die thermodynamische Signifikanz der experimentellen Daten diskutiert.

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Authors and Affiliations

  1. Abteilung für Physikalische Chemie, Montanuniversität Leoben, A-8700, Leoben, Austria

    Erich Königsberger & Heinz Gamsjäger

Authors
  1. Erich Königsberger
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  2. Heinz Gamsjäger
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Dedicated to Professor Erich Schwarz-Bergkampf on occasion of the 85th anniversary of his birthday

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Königsberger, E., Gamsjäger, H. Analysis of phase diagrams employing Bayesian excess parameter estimation. Monatsh Chem 121, 119–127 (1990). https://doi.org/10.1007/BF00809524

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  • DOI: https://doi.org/10.1007/BF00809524

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