journal article·2011-03

A geometric model correctly reproducing both the regular term and the configurational entropy of a ternary solution

Dmitri V. Malakhov

Calphad· Volume 35· Issue 1
Publisher page

Abstract

The historically first geometrical method pioneered by Bonnier and Caboz to evaluate the Gibbs energy of a ternary solution from the Gibbs energies of binary solutions correctly reproduces the configurational entropy, but not the regular term. In contrast, the constructs suggested by Toop, Kohler, Colinet and Muggianu result in the correct zero-order interaction parameter, but underestimate the configurational entropy. It is demonstrated that it is always possible to select compositions of the binary solutions reproducing both the regular term and the ideal entropy of mixing. A consistent method of finding these compositions is developed.
Source: openaire · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: Chemical Thermodynamics and Molecular Structure · Spectroscopy and Quantum Chemical Studies · Computational Drug Discovery Methods

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References (7)

Show source-provided references
1. C.C. Colinet, D.E.S., Faculté des sciences, Université de Grenoble, 1967.
2. Estimation of the thermodynamic data for a ternary system from the corresponding binary systems10.1007/BF00899814 ↗
3. Hillert · 1998
4. Sur l’estimation de l’enthalpie libre de mélange de certains alliages métalliques liquides ternaires
5. Predicting ternary activities using binary data
6. Enthalpies of formation of liquid bismuth–gallium–tin alloys at 723 K. Choice of an analytical representation of integral and partial thermodynamic functions of mixing10.1051/jcp/1975720083 ↗
7. “Equidistant method” to estimate thermodynamic properties of multicomponent solutions by using data on binary boundary system10.2320/matertrans1989.36.757 ↗