About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Thermodynamics for Sustainability: An EPD Symposium in Honor of Kazuki Morita
|
| Presentation Title |
Experimental data and the Gibbs-Duhem equation in multicomponent systems |
| Author(s) |
Lars Klemet Jakobsson |
| On-Site Speaker (Planned) |
Lars Klemet Jakobsson |
| Abstract Scope |
The most classical way to integrate using the Gibbs-Duhem equation in multicomponent systems has been to fix the ratio of all components except the one being integrated, creating a one-dimensional integration path in a quasi-binary system. Using this method, it is only possible to integrate directly towards or away from the component with known activity, limiting thermodynamic inter-consistency to this axis. Therefore, the components with sought for activities need one point with known activity for all ratios being integrated.
It is however possible to integrate the Gibbs-Duhem equation in any direction using computational methods, which means that the components with sought for activities only need one single point with known activity across the entire multicomponent region being integrated. The method can therefore be used to check the thermodynamic inter-consistency between experimental data and already known activities in the entire investigated region. Some examples will be given in this presentation. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Pyrometallurgy, Computational Materials Science & Engineering, |