Model:PHREEQC

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PHREEQC


Metadata

Also known as
Model type Single
Model part of larger framework
Incorporated models or components:
Spatial dimensions 1D
Spatial extent Watershed-Scale
Model domain Terrestrial, Hydrology
One-line model description PHREEQC version 3 is a computer program written in the C and C++ programming languages that is designed to perform a wide variety of aqueous geochemical calculations
Extended model description PHREEQC implements several types of aqueous models: two ion-association aqueous models (the Lawrence Livermore National Laboratory model and WATEQ4F), a Pitzer specific-ion-interaction aqueous model, and the SIT (Specific ion Interaction Theory) aqueous model. Using any of these aqueous models, PHREEQC has capabilities for (1) speciation and saturation-index calculations; (2) batch-reaction and one-dimensional (1D) transport calculations with reversible and irreversible reactions, which include aqueous, mineral, gas, solid-solution, surface-complexation, and ion-exchange equilibria, and specified mole transfers of reactants, kinetically controlled reactions, mixing of solutions, and pressure 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.
Keywords:

geochemical reaction model, inverse modeling, saturation indices, contaminant migration,


First name David
Last name Parkhurst
Type of contact Model developer
Institute / Organization USGS
Postal address 1 P.O. Box 25046, Mail Stop 418
Postal address 2
Town / City Denver
Postal code 80225
State Colorado
Country United States
Email address dlpark@usgs.gov
Phone
Fax


Supported platforms Unix, Linux, Mac OS, Windows
Other platform
Programming language C, C++
Other program language
Code optimized Single Processor
Multiple processors implemented
Nr of distributed processors
Nr of shared processors
Start year development 1980
Does model development still take place? Yes
If above answer is no, provide end year model development
Code development status Active
When did you indicate the 'code development status'? 2020
Model availability As code
Source code availability
(Or provide future intension)
Through web repository
Source web address http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/
Source csdms web address
Program license type Other
Program license type other as defined in source code "NOTICE" file
Memory requirements --
Typical run time --


Describe input parameters All input for PHREEQC version 3 is defined in keyword data blocks, each of which may have a series of identifiers for specific types of data.; See 'Description of Input and Examples for PHREEQC Version 3 - A computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations'.
Input format ASCII
Other input format
Describe output parameters To many to list here, see Description of Input and Examples for PHREEQC Version 3 - A computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations'.
Output format ASCII, Binary
Other output format
Pre-processing software needed? No
Describe pre-processing software
Post-processing software needed? No
Describe post-processing software
Visualization software needed? Yes
If above answer is yes
Other visualization software E.g. NetpathXL


Describe processes represented by the model See See 'Description of Input and Examples for PHREEQC Version 3 - A computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations'.
Describe key physical parameters and equations See 'Description of Input and Examples for PHREEQC Version 3 - A computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations'.
Describe length scale and resolution constraints See 'Description of Input and Examples for PHREEQC Version 3 - A computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations'.
Describe time scale and resolution constraints See 'Description of Input and Examples for PHREEQC Version 3 - A computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations'.
Describe any numerical limitations and issues See 'Description of Input and Examples for PHREEQC Version 3 - A computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations'.


Describe available calibration data sets
Upload calibration data sets if available:
Describe available test data sets
Upload test data sets if available:
Describe ideal data for testing


Do you have current or future plans for collaborating with other researchers?
Is there a manual available? Yes
Upload manual if available: Media:PHREEQC-tm6-A43.pdf
Model website if any http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/
Model forum / discussion board http://www.phreeqcusers.org/
Comments


This part will be filled out by CSDMS staff

OpenMI compliant No but possible
BMI compliant No but possible
WMT component No but possible
PyMT component
Is this a data component
Can be coupled with:
Model info
David Parkhurst
Citation indices PHREEQC
Nr. of pubs: 314
Citations: 3572
h-index: 25
Qrcode PHREEQC.png
Link to this page



Introduction

History

References




Citation indices PHREEQC
Nr. of pubs: 314
Citations: 3572
h-index: 25



Featured publication(s)YearModel describedType of ReferenceCitations
Parkhurst, D.L.; Appelo, C.A.J.; 2013. Description of input and examples for PHREEQC version 3--A computer program for speciation, batch-reaction, one- dimensional transport, and inverse geochemical calculations. U.S. Geological Survey Techniques and Methods, book 6, chap. A43.
(View/edit entry)
2013PHREEQC
Model overview 1128
Jang, Eunseon; Boog, Johannes; He, Wenkui; Kalbacher, Thomas; 2018. OpenGeoSys Tutorial. In: (eds.).. .
(View/edit entry)
2018PHREEQC
Model overview --
See more publications of PHREEQC


Issues

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Input Files

Output Files