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phreeqc (version 3.6.3)

R Interface to Geochemical Modeling Software

Description

A geochemical modeling program developed by the US Geological Survey that is designed to perform a wide variety of aqueous geochemical calculations, including speciation, batch-reaction, one-dimensional reactive-transport, and inverse geochemical calculations.

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Version

Install

install.packages('phreeqc')

Monthly Downloads

211

Version

3.6.3

License

GPL-3

Maintainer

SR Charlton

Last Published

May 11th, 2020

Functions in phreeqc (3.6.3)

Example 2--Equilibration With Pure Phases

The iso.dat database.

Example 21--Modeling Diffusion of HTO, 36Cl-, 22Na+, and Cs+ in a Radial Diffusion Cell

Example 18--Inverse Modeling of the Madison Aquifer

Example 12--Advective and Diffusive Flux of Heat and Solutes

phrGetAccumulatedLines

Retrieve the accumulated input.

Example 17--Inverse Modeling With Evaporation

phrSetOutputFileName

Set the name of the output file.

Example 6--Reaction-Path Calculations

Example 16--Inverse Modeling of Sierra Spring Waters

phrGetDumpFileName

Retrieve the name of the dump file.

Example 9--Kinetic Oxidation of Dissolved Ferrous Iron With Oxygen

phrGetComponentList

Retrieve a list containing the current list of components.

The llnl.dat database.

Example 7--Gas-Phase Calculations

The ex15.dat database

Example 19--Modeling Cd+2 Sorption With Linear, Freundlich, and Langmuir Isotherms, and With a Deterministic Distribution of Sorption Sites for Organic Matter, Clay Minerals, and Iron Oxyhydroxides

Example 22--Modeling Gas Solubilities: CO2 at High Pressures

Example 15--1D Transport: Kinetic Biodegradation, Cell Growth, and Sorption

phrGetErrorStrings

Retrieve error string messages.

Example 20--Distribution of Isotopes Between Water and Calcite

phrGetLogFileName

Retrieve the name of the log file.

The frezchem.dat database

phrGetOutputFileName

Retrieve the name of the output file.

phrGetErrorFileName

Retrieve the name of the error file.

Example 8--Surface Complexation

phrLoadDatabaseString

Load a phreeqc database as a string or a list of strings.

Example 3--Mixing

phrGetDumpStrings

Retrieve DUMP strings.

phrClearAccumulatedLines

Clear the accumulated input buffer.

phrSetDumpStringsOn

Set dump strings on/off.

Example 4--Evaporation and Homogeneous Redox Reactions

Example 5--Irreversible Reactions

phrAccumulateLine

Accumulate line(s) for input to phreeqc.

The minteq.v4.dat database.

The minteq.dat database.

phrSetLogFileOn

Set log file on/off.

phrSetErrorFileOn

Set error file on/off.

phrGetErrorFileOn

Retrieve the current value of the error file switch.

phrGetOutputStringsOn

Retrieve the current value of the output strings switch.

phrGetDumpFileOn

Retrieve the current value of the dump file switch.

phrGetDumpStringsOn

Retrieve the current value of the dump strings switch.

phrSetDumpFileName

Set the name of the dump file.

phrSetOutputFileOn

Set output file on/off.

phrGetOutputStrings

Retrieve standard phreeqc output.

phrSetErrorFileName

Set the name of the error file.

phrGetErrorStringsOn

Retrieve the current value of the error strings switch.

phrSetOutputStringsOn

Set output strings on/off.

phrGetLogFileOn

Retrieve the current value of the log file switch.

phrGetWarningStrings

Retrieve warning messages.

phrSetDumpFileOn

Set the dump file on/off.

phrGetLogStrings

Retrieve log output.

phrGetOutputFileOn

Retrieve the current value of the output file switch.

phrSetSelectedOutputFileName

Set the name of the selected_output file.

phrGetSelectedOutput

Returns the contents of the selected output as a list of data frames.

Run phreeqc input file

phrSetLogStringsOn

Set log strings on/off.

phrSetSelectedOutputFileOn

Set selected_output file on/off.

Runs phreeqc using the given string as input.

phrLoadDatabase

Load a phreeqc database file

phrGetSelectedOutputFileName

Retrieve the name of the selected_output file.

phrSetLogFileName

Set the name of the log file.

phrGetLogStringsOn

Retrieve the current value of the log strings switch.

The sit.dat database.

The pitzer.dat database.

phrRunAccumulated

Runs the accumulated input.

phrSetErrorStringsOn

Set error strings on/off.

The phreeqc.dat database

The wateq4f.dat database.

phreeqc-package

R interface to the PHREEQC geochemical modeling program.

Tipping_Hurley.dat

The Tipping_Hurley.dat database

Example 11--Transport and Cation Exchange

The Amm.dat database.

The ColdChem.dat database.

Example 13--Aragonite-Strontianite Solid Solution

The core10.dat database

Example 1--Speciation Calculation

Example 10--Aragonite-Strontianite Solid Solution

Example 14--Advective Transport, Cation Exchange, Surface Complexation, and Mineral Equilibria