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Record Search Query: ServiceParameters>DATA ANALYSIS AND VISUALIZATION>STATISTICAL APPLICATIONS

A Computer Program for Speciation, Batch-Reaction, One-Dimensional Transport, and Inverse Geochemical Calculations
Entry ID: USGS_PHREEQC
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Summary
Abstract: PHREEQC- A Computer Program for Speciation, Batch-Reaction, One-Dimensional
Transport, and Inverse Geochemical Calculations is written in the C programming
language that is designed to perform a wide variety of low-temperature aqueous
geochemical calculations. PHREEQC is based on an ion-association aqueous model
and has capabilities for (1) speciation and saturation-index calculations; (2)
batch-reaction and one-dimensional (1D) transport calculations involving
reversible reactions, which include aqueous, mineral, gas, solid-solution,
surface-complexation, and ion-exchange equilibria, and irreversible reactions,
which include specified mole transfers of reactants, kinetically controlled
reactions, mixing of solutions, and temperature changes; and (3) inverse
modeling, which finds sets of mineral and gas mole transfers that account for
differences in composition between waters, within specified compositional
uncertainty limits.

New features in PHREEQC version 2 relative to version 1 include capabilities to
simulate dispersion (or diffusion) and stagnant zones in 1D-transport
calculations, to model kinetic reactions with user-defined rate expressions, to
model the formation or dissolution of ideal, multicomponent or nonideal, binary
solid solutions, to model fixed-volume gas phases in addition to fixed-pressure
gas phases, to allow the number of surface or exchange sites to vary with the
dissolution or precipitation of minerals or kinetic reactants, to include
isotope mole balances in inverse modeling calculations, to automatically use
multiple sets of convergence parameters, to print user-defined quantities to
the primary output file and (or) to a file suitable for importation into a
spreadsheet, and to define solution compositions in a format more compatible
with spreadsheet programs.

[Summary provided by the USGS.]

Related URL
Link: GET SERVICE > GET SOFTWARE PACKAGE
Description: Download the Computer Program for Speciation, Batch-Reaction, One-Dimensional
Transport, and Inverse Geochemical Calculations.

Link: VIEW RELATED INFORMATION
Description: User's Guide to PHREEQC (Version 2)--A Computer Program for Speciation,
Batch-Reaction, One-Dimensional Transport, and Inverse Geochemical
Calculations.
Service Citation
Originators: U.S. Geological Survey
Title: A Computer Program for Speciation, Batch-Reaction, One-Dimensional Transport, and Inverse Geochemical Calculations
Provider: U.S. Geological Survey
URL: http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/index.html
ISO Topic Category
GEOSCIENTIFIC INFORMATION
Service Provider
Office of Surface Water, Water Resource Division, USGS, U.S. Department of the Interior

Service Provider Personnel
Name: WATER WEBSERVER TEAM - USGS
Phone: 703-648-4000;1-800-426-9000
Email: h2oteam at usgs.gov
Contact Address:
USGS National Center
Water Resources Division
12201 Sunrise Valley Drive
City: Reston
Province or State: VA
Postal Code: 20192-0002
Country: USA
Distribution Media
Distribution_Media: Online
Fees: No fees
Personnel
WATER RESOURCES U.S. GEOLOGICAL SURVEY
Role: TECHNICAL CONTACT
Email: h2osoft at usgs.gov
Contact Address:
U.S.G.S.
Hydrologic Analysis Software Support Program
437 National Center
City: Reston
Province or State: VA
Postal Code: 20192
Country: USA

TYLER B. STEVENS
Role: SERF AUTHOR
Phone: (301) 614-6898
Fax: 301-614-5268
Email: Tyler.B.Stevens at nasa.gov
Contact Address:
NASA Goddard Space Flight Center
Global Change Master Directory
City: Greenbelt
Province or State: MD
Postal Code: 20771
Country: USA
Creation and Review Dates
SERF Creation Date: 2006-01-03
SERF Last Revision Date: 2011-12-13
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