Phase diagrams with the driving force and extent of reaction as axis variables

Pertti Koukkari (Corresponding Author), Risto Pajarre

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Abstract

A method where a conjugate pair of the driving force (affinity, D) and extent of reaction (EOR, ξ) are used as axis variables to present non-equilibrium conditions of multiphase systems as Calphadian phase diagrams is introduced. Three examples for various thermochemical systems include a solid state reaction, steel melt solidification and an aqueous sorption-precipitation system. Both equilibrium and non-equilibrium diagrams were produced to study the thermodynamic validity of the suggested technique. The use of D,ξ variables can be applied in typical Gibbs energy minimizing programs and provides additional degrees of freedom in the diagrammatic analysis of various multiphase problems.
Original languageEnglish
Article number102290
JournalCalphad: Computer Coupling of Phase Diagrams and Thermochemistry
Volume74
DOIs
Publication statusPublished - Sep 2021
MoE publication typeA1 Journal article-refereed

Keywords

  • Driving force
  • Affinity
  • Extent of reaction (EOR)
  • Axis variables. phase diagrams
  • Partial equilibria

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