New versions PHREEQC and PHAST Programs

[dlparkhurst]

Latest versions:
PHREEQC, version 3.1.2
PhreeqcI version 3.1.2
IPhreeqc modules, version 3.1.2
PHAST, version 2.4.6
Phast4Windows, version 1.0.8
SVN revision 8538

Programs and documentation are available at
http://wwwbrr.cr.usgs.gov/projects/GWC_coupled

PHREEQC

Modifications: A capability was added for multiple SELECTED_OUTPUT
definitions. TRANSPORT was modified to allow unequal cell spacing for
diffusion and multicomponent diffusion calculations. The databases
phreeqc.dat, Amm.dat, and pitzer.dat have been updated with molar
volumes for Mn+2, Al+3, PO4-3, F-, Li+, Br-, Zn+2, Cd+2, Cu+2, NH4+,
HPO4-2, H2PO4-, H3PO4, and some related ion pairs and complexes. A
temperature- dependent pressure correction has been introduce in the
Debye-Hueckel part of Pitzer's equation for activity coefficient.
Several new Basic functions were added: EQ_FRAC, KIN_TIME,
SPECIES_FORMULA$, STR_F$, STR_E$.

Bug fixes for PHREEQC: There was a serious error in accounting for
pressure dependence when Pitzer or SIT aqueous model was used. The
pressure dependence was not calculated if the pressure was changed,
but the temperature was not. Several other bugs have been fixed, some
of which caused crashes.

PhreeqcI

Modified chart handling for PhreeqcI to allow charts from multiple
runs to remain open for comparison. Charts will remain visible until
closed or the PhreeqcI session is closed. Multiple SELECTED_OUTPUT and
USER_PUNCH data blocks may be defined. Added new Basic functions.
Fixed bugs with the screen for USER_GRAPH.

IPhreeqc

A Basic function, CALLBACK, has been added which allows data be passed
between the calling program and Basic programs (usually, USER_PUNCH
and RATES). The advection example has been expanded to demonstrate the
use of the callback function in C, Fortran, and C++. A number of new
methods were added to accommodate multiple SELECTED_OUTPUT
definitions.


PHAST and Phast4Windows

Changed the river boundary condition. Previously, it was an error for
the head in a river to be below the bottom of the river. Now if the
head in the river is set below the bottom of the river, the river is
treated as a drain, where water flows to the river if the head in the
aquifer is above the river bottom, but no water flows from the river
to the aquifer if the head in the aquifer is below the river bottom.
One application of this new feature is modeling tidal fluctuations.

Fixed multiple bugs, some of which caused crashes


Documentation

Change logs for PHREEQC (RELEASE.TXT) and PHAST (RELEASE) can be found
in the distribution directories, or, for Windows, from Start->All
Programs. Revised PHREEQC documentation with green-highlighted changes
is available in the phreeqc3.chm file in the doc directories,
or, for Windows, Start->All Programs, and at the web site.