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188 lines
8.0 KiB
Plaintext
188 lines
8.0 KiB
Plaintext
README.PhreeqcI.txt
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PhreeqcI Version @VERSION@ @VER_DATE@
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A graphical user interface to:
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PHREEQC--A program for speciation, batch-reaction, one-dimensional
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transport, and inverse geochemical calculations
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This file describes installing the GUI PhreeqcI on Windows operating systems.
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The GUI can be downloaded from
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http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/index.html.
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PhreeqcI has screens for most PHREEQC keywords and allows input files that use any
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of PHREEQC version 3 capabilities. Alternatively, a Notepad++ interface for
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PHREEQC version 3 is available at http://www.hydrochemistry.eu/downl.html.
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TABLE OF CONTENTS
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A. Distribution file
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B. Documentation
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C. Installing and running the GUI PhreeqcI
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D. Testing and examples
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E. Contacts
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-----------------------------------------------------------------------------------
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A. Distribution files
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The following distribution file (containing the software, databases, examples and
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documentation) are available at
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http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/index.html.
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phreeqci-@VERSION@-@REVISION@.msi--GUI compiled by using Microsoft Visual C++ 2005
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B. Documentation
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*Brief description of the program PhreeqcI.
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Charlton, S.R., and Parkhurst, D.L., 2002, PhreeqcI--A graphical user
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interface to the geochemical model PHREEQC: U.S. Geological Survey
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Fact Sheet FS-031-02, 2 p.
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*The following two user's guides are available in electronic format. Portable
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Document Format (PDF) files are included in the doc subdirectory of the
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PHREEQC program distribution. Latest documentationis available from
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the Help menu of PhreeqcI.
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Parkhurst, D.L., and Appelo, C.A.J., 2013, Description of input and examples
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for PHREEQC version 3--A computer program for speciation, batch-reaction,
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one- dimensional transport, and inverse geochemical calculations: U.S.
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Geological Survey Techniques and Methods, book 6, chap. A43, 497 p.
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http://pubs.usgs.gov/tm/06/a43/.
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Parkhurst, D.L., and Appelo, C.A.J., 1999, User's guide to PHREEQC (Version 2)--
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A computer program for speciation, batch-reaction, one-dimensional transport,
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and inverse geochemical calculations: U.S. Geological Survey Water-Resources
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Investigations Report 99-4259, 312 p.
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http://pubs.er.usgs.gov/publication/wri994259.
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*The following two reports document the theory and implementation of isotopes
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in PHREEQC. Portable Document Format (PDF) of Thorstenson and Parkhurst
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(2002) is included in the doc subdirectory of the PHREEQC program
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distribution.
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Thorstenson, D.C., and Parkhurst, D.L., 2002, Calculation of individual isotope
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equilibrium constants for implementation in geochemical models: U.S.
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Geological Survey Water-Resources Investigations Report 02-4172, 129 p.
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http://pubs.er.usgs.gov/publication/wri024172.
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Thorstenson, D.C., and Parkhurst, D.L., 2004, Calculation of individual isotope
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equilibrium constants for geochemical reactions: Geochimica et Cosmochimica
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Acta, v. 68, no. 11, p. 2449-2465.
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C. Installing and running the GUI PhreeqcI
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-----------------------------------------------------------------------------------
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Note: the person installing the software generally must have administrator
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rights.
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To install the GUI, double-click phreeqci-@VERSION@-@REVISION@.msi to execute
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the installation program and follow the directions on the screen. The GUI is
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completely independent from the batch version.
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To execute the GUI, access the program through the start menus of Windows.
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By default, PhreeqcI is installed in the directory
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C:\Program Files (x86)\USGS\phreeqci-@VERSION@-@REVISION@.
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This is the recommended installation directory, but you may use other
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directories or disk drives.
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Note that program components not installed initially can be installed later,
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and any components damaged (for example, by inadvertently overwriting the
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directory) can be reinstalled by double-clicking
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phreeqci-@VERSION@-@REVISION@.msi--a maintenance version of the installation
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program will be executed.
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D. Testing and examples
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Input files are provided to verify that the program is correctly installed and
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running on your system. The input files execute the examples presented in the
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2013 user's guide, which demonstrate most of the program's capabilities. The
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PHREEQC "examples" directory contains the input files.
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To run the examples, copy the "examples" directory (C:\Program Files (x86)\USGS\
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Phreeqc Interactive 3.1.4-8929\examples) to a location where you have
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read/write access. The examples can be run from the new directory either by
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double clicking one of the .pqi files from Windows Explorer or by the
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File->Open menu of PhreeqcI.
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The examples are described in the table below, where 'Num' corresponds
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to the example number in the PHREEQC manual. Charts can be compared to charts
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in the manual (Techniques and Methods 6-A43).
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Num Description of example
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1 Add uranium species and speciate seawater
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2 Temperature dependence of solubility
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of gypsum and anhydrite
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3 Mixing seawater and groundwater
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4 Evaporation and solution volume
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5 Add oxygen, equilibrate with pyrite, calcite, and goethite.
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6 Reaction path calculations with K-feldspar to phase boundaries
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7 Organic decomposition with fixed-pressure and
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fixed-volume gas phases
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8 Sorption of zinc on hydrous iron oxides
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9 Kinetically controlled oxidation of ferrous iron.
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Decoupled valence states of iron.
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10 Solid solution of strontianite and aragonite.
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11 Transport and ion exchange.
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12 Advective and diffusive transport of heat and solutes. Constant boundary
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condition at one end, closed at other. The problem is designed so that
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temperature should equal Na-conc (in mmol/kgw) after diffusion.
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13 1D Transport in a Dual Porosity Column With Cation Exchange
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14 Transport with equilibrium_phases, exchange, and surface reactions
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15 1D Transport: Kinetic Biodegradation, Cell Growth, and Sorption
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16 Inverse modeling of Sierra springs
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17 Inverse modeling of Black Sea water evaporation
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18 Inverse modeling of Madison aquifer
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19 Modeling Cd+2 sorption with Linear, Freundlich, and Langmuir isotherms,
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and with a deterministic distribution of sorption sites for organic
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matter, clay minerals, and iron oxyhydroxides
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20 Distribution of isotopes between water and calcite
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21 Modeling diffusion of HTO, 36Cl-, 22Na+, and Cs+ in a radial diffusion
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cell
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22 Modeling gas solubilities: CO2 at high pressures
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E. CONTACTS
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Inquiries about this software distribution should be directed to:
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e-mail: h2osoft@usgs.gov or dlpark@usgs.gov
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