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Nucleation kinetics in PhreeqC?



Dear Dr. Parkhurst,

I'm a PhD student in the Research Center Karlsruhe at the Institute of Nuclear Waste Management. I'm working on a DFG project regarding the bassanite-gypsum-transition together with Dr. Dirk Bosbach. 

We try to model the reaction kinetics of bassanite dissolution, gypsum nucleation and gypsum growth to develop a predictive reaction model for plaster setting with PhreeqC. We determined the kinetic constants for the reaction rates by batch and flow-through experiments. Then we used PhreeqC succesfully to model bassanite dissolution and gypsum growth, but the nucleation is still missing. We have determined the nucleation rate.
 
Now my question: Can you give me hint, how to integrate gypsum nucleation/nucleation rate in PhreeqC? I've attached my input file and the database we use.

If you need more informations or if you have any questions, please contact me. 

Many thanks in advance.

Sincerely yours,
-Lars Niemann

__________________________________

Lars Niemann
Forschungszentrum Karlsruhe
Institut für Nukleare Entsorgung
Postfach 3640
D-76021 Karlsruhe
phone +49 (0)7247 82-5498
fax +49 (0)7247 82-3927
mailto:niemann@xxxxxxxxxx
web www.fzk.de/ine
__________________________________

Attachment: NAPSI_290502(260802).DAT
Description: NAPSI_290502(260802).DAT

Attachment: HH-DH
Description: HH-DH



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