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phreeqc (version 3.7.6)

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

865

Version

3.7.6

License

GPL-3

Maintainer

SR Charlton

Last Published

December 7th, 2023

Functions in phreeqc (3.7.6)

Example 5--Irreversible Reactions

Example 7--Gas-Phase Calculations

The minteq.dat database.

The minteq.v4.dat database.

The iso.dat database.

Example 20--Distribution of Isotopes Between Water and Calcite

The llnl.dat database.

Example 17--Inverse Modeling With Evaporation

phrGetErrorFileName

Retrieve the name of the error file.

phrGetErrorFileOn

Retrieve the current value of the error file switch.

phrGetComponentList

Retrieve a list containing the current list of components.

phrGetAccumulatedLines

Retrieve the accumulated input.

Example 8--Surface Complexation

phrGetLogFileName

Retrieve the name of the log file.

The frezchem.dat database

phrAccumulateLine

Accumulate line(s) for input to phreeqc.

phrGetLogFileOn

Retrieve the current value of the log file switch.

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

phrGetLogStringsOn

Retrieve the current value of the log strings switch.

phrGetLogStrings

Retrieve log output.

phrGetOutputStrings

Retrieve standard phreeqc output.

phrClearAccumulatedLines

Clear the accumulated input buffer.

phrSetErrorFileOn

Set error file on/off.

phrGetOutputStringsOn

Retrieve the current value of the output strings switch.

phrSetErrorStringsOn

Set error strings on/off.

phrLoadDatabaseString

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

phrRunAccumulated

Runs the accumulated input.

phrGetDumpStringsOn

Retrieve the current value of the dump strings switch.

phrGetDumpStrings

Retrieve DUMP strings.

Example 3--Mixing

Example 4--Evaporation and Homogeneous Redox Reactions

The phreeqc.dat database

phreeqc-package

R interface to the PHREEQC geochemical modeling program.

The wateq4f.dat database.

phrGetOutputFileName

Retrieve the name of the output file.

phrSetOutputFileName

Set the name of the output file.

The pitzer.dat database.

phrSetLogStringsOn

Set log strings on/off.

Run phreeqc input file

The sit.dat database.

phrSetLogFileName

Set the name of the log file.

Runs phreeqc using the given string as input.

phrSetLogFileOn

Set log file on/off.

phrGetDumpFileName

Retrieve the name of the dump file.

phrGetWarningStrings

Retrieve warning messages.

phrGetErrorStringsOn

Retrieve the current value of the error strings switch.

phrSetDumpStringsOn

Set dump strings on/off.

phrGetErrorStrings

Retrieve error string messages.

phrLoadDatabase

Load a phreeqc database file

phrGetDumpFileOn

Retrieve the current value of the dump file switch.

Example 6--Reaction-Path Calculations

phrSetErrorFileName

Set the name of the error file.

phrSetOutputFileOn

Set output file on/off.

phrSetOutputStringsOn

Set output strings on/off.

phrGetOutputFileOn

Retrieve the current value of the output file switch.

phrGetSelectedOutput

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

phrSetSelectedOutputFileOn

Set selected_output file on/off.

phrGetSelectedOutputFileName

Retrieve the name of the selected_output file.

phrSetDumpFileOn

Set the dump file on/off.

phrSetDumpFileName

Set the name of the dump file.

phrSetSelectedOutputFileName

Set the name of the selected_output file.

The Amm.dat database.

Example 1--Speciation Calculation

Example 16--Inverse Modeling of Sierra Spring Waters

Example 2--Equilibration With Pure Phases

Example 10--Aragonite-Strontianite Solid Solution

The ex15.dat database

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

The core10.dat database

Example 11--Transport and Cation Exchange

Example 13--Aragonite-Strontianite Solid Solution

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

Tipping_Hurley.dat

The Tipping_Hurley.dat database

Example 18--Inverse Modeling of the Madison Aquifer

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

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

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

The ColdChem.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