Notes on Databases

Course databases:

thermo+XXXXX.dat: This series of databases contain modifications of the defaculty "thermo.dat" database for use in specific problems in the course.  Most modifications are prompted by the textbook.
thermo+Lactate.dat
thermo+MnIII.dat
thermo+S0.dat
thermo+Mackinawite.dat
thermo+Phenol.dat

FeOH_UO2.dat/FeOH_UO2s.dat: Surface complexation model databases for use in an example in class.

Prof. Catalano's personal databases:
Use these at your own risk!  We may use these in class at times.  If you want to use these databases in your future research then you need to first discuss this with Prof. Catalano, both to make sure that you understand its possible limitations as well as to ensure that you acknoledge all of the data sources, which are not currently well integrated into the database file.  Some data in the first database was directly calculated by Prof. Catalano and absolutely cannot be used without his permission.

thermo.com.v8.r6+_jeff.dat: Modification of the expanded LLNL database.  Prof. Catalano has heavily modified the default database for a number of phases, including new log K values for various aqueous species and the addition of new data for sulfate and clay minerals.  U and As data represent the most up-to-date values available, although some minerals are included for completeness but likely have erroneous data and should be suppressed.  Edits are generally annotated.

Edited_Pitzer_mod-v6.dat: Pitzer-style database for modeling brines.  Based on compilation of most recent data.  Appears to work well but is an experimental database compiled by Tingying Xu and further edited by Prof. Catalano.