Re: New database, new versions of PHREEQC and PhreeqcI

["Tim Glover" <NTGlover@xxxxxxxxxx>]

Where does one find a copy of the below mentioned llnl.dat?

 

Tim

>>> <dlpark@xxxxxxxx> 01/02/01 03:55PM >>>
Release of:
     Database llnl.dat
     PHREEQC Version 2.3 (Batch version)
     PhreeqcI Alpha 2.3-2010 (Windows interactive version)

Database llnl.dat:

Greg Anderson has made a PHREEQC database that implements most of the
inorganic aqueous species and minerals in the thermodynamic data compiled
by Jim Johnson of the Lawrence Livermore National Laboratory. This
compilation includes many elements not available in any other PHREEQC
database. Many of the aqueous species and minerals, but not all, are fit
over the temperature range 0-300. The database llnl.dat should give results
essentially equivalent to EQ3/6 and Geochemist's Workbench.  The database
llnl.dat requires version 2.3 because it relies on a new keyword
LLNL_AQUEOUS_MODEL_PARAMETERS to define the activity coefficient parameters
and their temperature dependence for the Lawrence Livermore model for
activity coefficients.

PHREEQC Version 2.3 (Batch version):

A new DATABASE keyword was added to allow explicit definition in the input
file of the thermodynamic database file to be used. A new keyword
LLNL_AQUEOUS_MODEL_PARAMETERS and new identifiers to SOLUTION_SPECIES were
added to implement the Lawrence Livermore database llnl.dat.  A new Basic
function (Surf) allows printing of the total moles of an element in the
diffuse layer in surface complexation modeling. A new option to allow
minerals to dissolve, but not precipitate, has been added to
EQUILIBRIUM_PHASES. An option was added to the PRINT data block to
eliminate echoing the input file to the output file. Several bugs have been
fixed, for more information see RELEASE.TXT in distribution or the status
page at https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc.  Current
versions for Windows, Linux, and Solaris are now available at
https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc and will soon be
added to http://water.usgs.gov/software.

PhreeqcI Alpha 2.3-2010, (Windows interactive version):

The interface has been redesigned to handle multiple input and output
files. Multiple files can be viewed within the frame of the interface.  A
tree structure is created to navigate more simply through output files.
Screen input for additional keywords has been added, including all data
blocks that use the Basic interpreter. Screen input is still lacking for
transport calculations and thermodynamic data. Even though screen input is
not available for all keywords, files using all features of version PHREEQC
2.3 may run either by opening an input file or entering lines through the
line editor in the interface.  Current version is now available at
https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc and will soon be
added to http://water.usgs.gov/software.

BUGS:

Report to dlpark@xxxxxxxxx


David Parkhurst (dlpark@xxxxxxxx)
U.S. Geological Survey
Box 25046, MS 413
Denver Federal Center
Denver, CO 80225