Learn R Programming

⚠️There's a newer version (3.8.7) of this package.Take me there.

phreeqc (version 3.8.0)

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.

Copy Link

Version

Install

install.packages('phreeqc')

Monthly Downloads

865

Version

3.8.0

License

GPL-3

Maintainer

SR Charlton

Last Published

July 18th, 2024

Functions in phreeqc (3.8.0)

PHREEQC_ThermoddemV1.10_15Dec2020.dat

Thermochemical Database from the BRGM institute (French Geological Survey)

Example 18--Inverse Modeling of the Madison Aquifer

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

Example 5--Irreversible Reactions

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

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

Example 16--Inverse Modeling of Sierra Spring Waters

Example 17--Inverse Modeling With Evaporation

Example 3--Mixing

Example 6--Reaction-Path Calculations

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 1--Speciation Calculation

phrAccumulateLine

Accumulate line(s) for input to phreeqc.

The minteq.dat database.

Example 4--Evaporation and Homogeneous Redox Reactions

phrGetErrorStrings

Retrieve error string messages.

phrGetErrorStringsOn

Retrieve the current value of the error strings switch.

The minteq.v4.dat database.

phrGetAccumulatedLines

Retrieve the accumulated input.

phrClearAccumulatedLines

Clear the accumulated input buffer.

phrGetDumpStrings

Retrieve DUMP strings.

phrGetOutputFileName

Retrieve the name of the output file.

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

The ex15.dat database

phrGetOutputFileOn

Retrieve the current value of the output file switch.

Example 7--Gas-Phase Calculations

phrGetComponentList

Retrieve a list containing the current list of components.

phrSetLogFileOn

Set log file on/off.

phrGetSelectedOutput

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

phrSetLogFileName

Set the name of the log file.

phrGetSelectedOutputFileName

Retrieve the name of the selected_output file.

Run phreeqc input file

Runs phreeqc using the given string as input.

phrGetDumpStringsOn

Retrieve the current value of the dump strings switch.

The iso.dat database.

Example 8--Surface Complexation

phrRunAccumulated

Runs the accumulated input.

phrGetErrorFileName

Retrieve the name of the error file.

phrLoadDatabase

Load a phreeqc database file

phrLoadDatabaseString

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

phrGetErrorFileOn

Retrieve the current value of the error file switch.

phrSetLogStringsOn

Set log strings on/off.

phrGetWarningStrings

Retrieve warning messages.

The llnl.dat database.

phrSetErrorFileOn

Set error file on/off.

phrSetErrorStringsOn

Set error strings on/off.

phrSetOutputFileName

Set the name of the output file.

phrGetLogFileName

Retrieve the name of the log file.

Example 10--Aragonite-Strontianite Solid Solution

Example 20--Distribution of Isotopes Between Water and Calcite

Example 2--Equilibration With Pure Phases

phrSetOutputFileOn

Set output file on/off.

phreeqc_rates.dat

Thermodynamic and rates database

phrGetLogFileOn

Retrieve the current value of the log file switch.

phrSetOutputStringsOn

Set output strings on/off.

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

The frezchem.dat database

phrGetLogStrings

Retrieve log output.

phrGetDumpFileOn

Retrieve the current value of the dump file switch.

phrGetDumpFileName

Retrieve the name of the dump file.

The pitzer.dat database.

phrSetDumpFileName

Set the name of the dump file.

phrGetLogStringsOn

Retrieve the current value of the log strings switch.

phrGetOutputStrings

Retrieve standard phreeqc output.

phrSetDumpFileOn

Set the dump file on/off.

phrSetSelectedOutputFileName

Set the name of the selected_output file.

phrGetOutputStringsOn

Retrieve the current value of the output strings switch.

phrSetErrorFileName

Set the name of the error file.

phrSetDumpStringsOn

Set dump strings on/off.

The phreeqc.dat database

The sit.dat database.

phreeqc-package

R interface to the PHREEQC geochemical modeling program.

phrSetSelectedOutputFileOn

Set selected_output file on/off.

The wateq4f.dat database.

Example 11--Transport and Cation Exchange

The Amm.dat database.

The ColdChem.dat database.

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

Example 13--Aragonite-Strontianite Solid Solution

Thermodynamic and rates database from Oelkers and coworkers.

Tipping_Hurley.dat

The Tipping_Hurley.dat database

The core10.dat database