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.