Model:PHREEQC

PHREEQC

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Also known as
Model type	Single
Model part of larger framework
Note on status model
Date note status model

Incorporated models or components:

Spatial dimensions	1D
Spatial extent	Watershed-Scale
Model domain
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,

Name	David 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
When did you indicate the 'code development status'?
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 not possible
BMI compliant	No not possible
WMT component	Not yet"Not yet" is not in the list (Yes, In progress, No but possible, No not possible) of allowed values for the "Code CMT compliant or not" property.
PyMT component
Is this a data component

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Model info

Authors

David Parkhurst

Source code

Go to external source code site

Model citations

Nr. of publications:	314
Total citations:	9536
h-index:	43
m-quotient:	3.31

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PHREEQC

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References

Nr. of publications:	314
Total citations:	9536
h-index:	43
m-quotient:	3.31

Source code

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Input Files

Output Files