Jump to content
Geochemist's Workbench Support Forum

Thermodynamic database

Recommended Posts

Hi, what information is used to compute the equilibrium constants at temperature other than 25 in the default thermo.dat file? I was looking for enthalpy data of a few aqueous complexes to do temperature correction for their formation constants, however, I couldn't find them in literature at all. I also checked all the other popular databases, including LLNL, PHREEQC, WATEQ4F,MINTEQ, and yet none of them include enthalpy data of these reactions (nor any other temperature dependent relationships). In contrast, thermo.dat actually includes temperature dependent equilibrium constants for all these reactions. How are they derived? And how reliable are they if "real" enthalpy data do not exist? (I'm pretty sure I have conducted a very thorough literature search). Thanks!

Link to comment
Share on other sites

Guest Melika Sharifi

Dear Foramruber,


The thermo.dat (thermo.tdat) is the LLNL thermo database. It was compiled by Thomas Wolery, Joan Delany, Ken Jackson, James Johnson, and other members of the geochemical modeling group at Lawrence Livermore National Laboratories (LLNL). The dataset is based in large part on the SUPCRT data compilation.



Melika Sharifi

Aqueous Solutions LLC

Link to comment
Share on other sites

Join the conversation

You can post now and register later. If you have an account, sign in now to post with your account.

Reply to this topic...

×   Pasted as rich text.   Paste as plain text instead

  Only 75 emoji are allowed.

×   Your link has been automatically embedded.   Display as a link instead

×   Your previous content has been restored.   Clear editor

×   You cannot paste images directly. Upload or insert images from URL.

  • Create New...