Welcome to the Therm'AP calculation sheet! --- Applied Thermodynamics Program ---
The thermodynamics of phosphate apatites has been recently reviewed in the following paper:
"A Comprehensive Guide to Experimental and Predicted Thermodynamic Properties of Phosphate Apatite Minerals in view of Applicative Purposes"
C. DROUET, The Journal of Chemical Thermodynamics (JCT), 81 (2015) 143-159, doi:10.1016/j.jct.2014.09.012
Based on this overview of experimental thermo data on apatites, a predictive thermodynamic model called ThermAP was developed, for the first time specifically on apatites.
In this model, each ion has an energetic contribution that is correlated to a corresponding binary compound
but with the application of corrective factors which were determined for apatite chemical environments.
This can allow not only the estimation of enthalpies, Gibbs free energies of formation or entropies for end-member compositions, but also for nonstoichiometric compositions and solid solutions.
All the details can be found in the above-cited paper. Researchers interested by this approach can also, of course, contact me directly: christophe.drouet ((at)) ensiacet.frFor facilitating the use of this ThermAP model, a free calculation sheet has been made and can be downloaded from the present webpage. It is user-friendly and can allow
estimating thermo data for apatites by simply entering their chemical compositions (solid solutions or nonstoichiometry allowed...).
Any feedback is welcome!
The contribution of other ions of interest in the apatite array will progressively also be added in the database.
The use of this calculation sheet is completely free. The only constrain if you use results from this program is to cite the original
published work and the URL of the present page.
The program can be freely downloaded by following the link below:
