phreeqc: R Interface to Geochemical Modeling Software

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.

Install the latest version of this package by entering the following in R:
install.packages("phreeqc")
AuthorS.R. Charlton, D.L. Parkhurst, and C.A.J. Appelo, with contributions from D. Gillespie for Chipmunk BASIC and S.D. Cohen, A.C. Hindmarsh, R. Serban, D. Shumaker, and A.G. Taylor for CVODE/SUNDIALS
Date of publication2017-01-28 17:31:29
MaintainerS.R. Charlton <charlton@usgs.gov>
LicenseGPL-3 + file LICENSE
Version3.3.10
http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc

View on CRAN

Man pages

Amm.dat: The Amm.dat database.

ex1: Example 1-Speciation Calculation

ex10: Example 10-Aragonite-Strontianite Solid Solution

ex11: Example 11-Transport and Cation Exchange

ex12: Example 12-Advective and Diffusive Flux of Heat and Solutes

ex13: Example 13-Aragonite-Strontianite Solid Solution

ex14: Example 14-Advective Transport, Cation Exchange, Surface...

ex15: Example 15-1D Transport: Kinetic Biodegradation, Cell Growth,...

ex15.dat: The ex15.dat database

ex16: Example 16-Inverse Modeling of Sierra Spring Waters

ex17: Example 17-Inverse Modeling With Evaporation

ex18: Example 18-Inverse Modeling of the Madison Aquifer

ex19: Example 19-Modeling Cd+2 Sorption With Linear, Freundlich,...

ex2: Example 2-Equilibration With Pure Phases

ex20: Example 20-Distribution of Isotopes Between Water and Calcite

ex21: Example 21-Modeling Diffusion of HTO, 36Cl-, 22Na+, and Cs+...

ex22: Example 22-Modeling Gas Solubilities: CO2 at High Pressures

ex3: Example 3-Mixing

ex4: Example 4-Evaporation and Homogeneous Redox Reactions

ex5: Example 5-Irreversible Reactions

ex6: Example 6-Reaction-Path Calculations

ex7: Example 7-Gas-Phase Calculations

ex8: Example 8-Surface Complexation

ex9: Example 9-Kinetic Oxidation of Dissolved Ferrous Iron With...

iso.dat: The iso.dat database.

llnl.dat: The llnl.dat database.

minteq.dat: The minteq.dat database.

minteq.v4.dat: The minteq.v4.dat database.

phrAccumulateLine: Accumulate line(s) for input to phreeqc.

phrClearAccumulatedLines: Clear the accumulated input buffer.

phreeqc.dat: The phreeqc.dat database

phreeqc-package: R interface to the PHREEQC geochemical modeling program.

phrGetAccumulatedLines: Retrieve the accumulated input.

phrGetComponentList: Retrieve a list containing the current list of components.

phrGetDumpFileName: Retrieve the name of the dump file.

phrGetDumpFileOn: Retrieve the current value of the dump file switch.

phrGetDumpStrings: Retrieve DUMP strings.

phrGetDumpStringsOn: Retrieve the current value of the dump strings switch.

phrGetErrorFileName: Retrieve the name of the error file.

phrGetErrorFileOn: Retrieve the current value of the error file switch.

phrGetErrorStrings: Retrieve error string messages.

phrGetErrorStringsOn: Retrieve the current value of the error strings switch.

phrGetLogFileName: Retrieve the name of the log file.

phrGetLogFileOn: Retrieve the current value of the log file switch.

phrGetLogStrings: Retrieve log output.

phrGetLogStringsOn: Retrieve the current value of the log strings switch.

phrGetOutputFileName: Retrieve the name of the output file.

phrGetOutputFileOn: Retrieve the current value of the output file switch.

phrGetOutputStrings: Retrieve standard phreeqc output.

phrGetOutputStringsOn: Retrieve the current value of the output strings switch.

phrGetSelectedOutput: Returns the contents of the selected output as a list of data...

phrGetSelectedOutputFileName: Retrieve the name of the selected_output file.

phrGetWarningStrings: Retrieve warning messages.

phrLoadDatabase: Load a phreeqc database file

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

phrRunAccumulated: Runs the accumulated input.

phrRunFile: Run phreeqc input file

phrRunString: Runs phreeqc using the given string as input.

phrSetDumpFileName: Set the name of the dump file.

phrSetDumpFileOn: Set the dump file on/off.

phrSetDumpStringsOn: Set dump strings on/off.

phrSetErrorFileName: Set the name of the error file.

phrSetErrorFileOn: Set error file on/off.

phrSetErrorStringsOn: Set error strings on/off.

phrSetLogFileName: Set the name of the log file.

phrSetLogFileOn: Set log file on/off.

phrSetLogStringsOn: Set log strings on/off.

phrSetOutputFileName: Set the name of the output file.

phrSetOutputFileOn: Set output file on/off.

phrSetOutputStringsOn: Set output strings on/off.

phrSetSelectedOutputFileName: Set the name of the selected_output file.

phrSetSelectedOutputFileOn: Set selected_output file on/off.

pitzer.dat: The pitzer.dat database.

sit.dat: The sit.dat database.

wateq4f.dat: The wateq4f.dat database.

Functions

Amm.dat Man page
ex1 Man page
ex10 Man page
ex11 Man page
ex12 Man page
ex13a Man page
ex13b Man page
ex13c Man page
ex14 Man page
ex15 Man page
ex15.dat Man page
ex16 Man page
ex17 Man page
ex18 Man page
ex19 Man page
ex2 Man page
ex20a Man page
ex20b Man page
ex21 Man page
ex22 Man page
ex3 Man page
ex4 Man page
ex5 Man page
ex6 Man page
ex7 Man page
ex8 Man page
ex9 Man page
iso.dat Man page
llnl.dat Man page
minteq.dat Man page
minteq.v4.dat Man page
phrAccumulateLine Man page
phrClearAccumulatedLines Man page
phreeqc Man page
phreeqc.dat Man page
phreeqc-package Man page
phrGetAccumulatedLines Man page
phrGetComponentList Man page
phrGetDumpFileName Man page
phrGetDumpFileOn Man page
phrGetDumpStrings Man page
phrGetDumpStringsOn Man page
phrGetErrorFileName Man page
phrGetErrorFileOn Man page
phrGetErrorStrings Man page
phrGetErrorStringsOn Man page
phrGetLogFileName Man page
phrGetLogFileOn Man page
phrGetLogStrings Man page
phrGetLogStringsOn Man page
phrGetOutputFileName Man page
phrGetOutputFileOn Man page
phrGetOutputStrings Man page
phrGetOutputStringsOn Man page
phrGetSelectedOutput Man page
phrGetSelectedOutputFileName Man page
phrGetWarningStrings Man page
phrLoadDatabase Man page
phrLoadDatabaseString Man page
phrRunAccumulated Man page
phrRunFile Man page
phrRunString Man page
phrSetDumpFileName Man page
phrSetDumpFileOn Man page
phrSetDumpStringsOn Man page
phrSetErrorFileName Man page
phrSetErrorFileOn Man page
phrSetErrorStringsOn Man page
phrSetLogFileName Man page
phrSetLogFileOn Man page
phrSetLogStringsOn Man page
phrSetOutputFileName Man page
phrSetOutputFileOn Man page
phrSetOutputStringsOn Man page
phrSetSelectedOutputFileName Man page
phrSetSelectedOutputFileOn Man page
pitzer.dat Man page
sit.dat Man page
wateq4f.dat Man page

Files

inst
inst/CITATION
src
src/Makevars
src/IPhreeqc.h
src/Debug.h
src/CSelectedOutput.cpp
src/ErrorReporterhxx.h
src/Var.h
src/IPhreeqc.cpp
src/CVarhxx.h
src/R.cpp
src/CSelectedOutputhxx.h
src/thread.h
src/Var.c
src/Version.h
src/phreeqcpp
src/phreeqcpp/cxxMix.h
src/phreeqcpp/Use.cpp
src/phreeqcpp/sundialstypes.h
src/phreeqcpp/SScomp.h
src/phreeqcpp/basicsubs.cpp
src/phreeqcpp/SS.cpp
src/phreeqcpp/dense.h
src/phreeqcpp/SurfaceCharge.h
src/phreeqcpp/parse.cpp
src/phreeqcpp/ExchComp.h
src/phreeqcpp/ReadClass.cpp
src/phreeqcpp/read.cpp
src/phreeqcpp/CurveObject.cpp
src/phreeqcpp/ExchComp.cpp
src/phreeqcpp/nvector_serial.cpp
src/phreeqcpp/readtr.cpp
src/phreeqcpp/System.h
src/phreeqcpp/Utils.h
src/phreeqcpp/ChartObject.cpp
src/phreeqcpp/tally.cpp
src/phreeqcpp/SelectedOutput.cpp
src/phreeqcpp/global_structures.h
src/phreeqcpp/StorageBinList.h
src/phreeqcpp/Parser.h
src/phreeqcpp/SSassemblage.h
src/phreeqcpp/SurfaceCharge.cpp
src/phreeqcpp/PHRQ_base.cpp
src/phreeqcpp/cvdense.h
src/phreeqcpp/pitzer_structures.cpp
src/phreeqcpp/ChartHandler.h
src/phreeqcpp/Solution.h
src/phreeqcpp/spread.cpp
src/phreeqcpp/cvdense.cpp
src/phreeqcpp/NA.h
src/phreeqcpp/runner.cpp
src/phreeqcpp/pitzer.cpp
src/phreeqcpp/Keywords.cpp
src/phreeqcpp/smalldense.cpp
src/phreeqcpp/Temperature.cpp
src/phreeqcpp/SS.h
src/phreeqcpp/PPassemblageComp.h
src/phreeqcpp/StorageBinList.cpp
src/phreeqcpp/PHRQ_base.h
src/phreeqcpp/mainsubs.cpp
src/phreeqcpp/ISolution.h
src/phreeqcpp/cvode.cpp
src/phreeqcpp/PBasic.h
src/phreeqcpp/Reaction.cpp
src/phreeqcpp/SSassemblage.cpp
src/phreeqcpp/step.cpp
src/phreeqcpp/ISolutionComp.h
src/phreeqcpp/dense.cpp
src/phreeqcpp/Exchange.cpp
src/phreeqcpp/Temperature.h
src/phreeqcpp/NumKeyword.h
src/phreeqcpp/PBasic.cpp
src/phreeqcpp/phqalloc.h
src/phreeqcpp/phqalloc.cpp
src/phreeqcpp/Surface.cpp
src/phreeqcpp/ChartObject.h
src/phreeqcpp/SurfaceComp.cpp
src/phreeqcpp/integrate.cpp
src/phreeqcpp/advection.cpp
src/phreeqcpp/GasPhase.h
src/phreeqcpp/Pressure.cpp
src/phreeqcpp/cl1.cpp
src/phreeqcpp/nvector_serial.h
src/phreeqcpp/cxxKinetics.cpp
src/phreeqcpp/StorageBin.h
src/phreeqcpp/ISolutionComp.cpp
src/phreeqcpp/NumKeyword.cpp
src/phreeqcpp/Phreeqc.h
src/phreeqcpp/Serializer.cpp
src/phreeqcpp/KineticsComp.cpp
src/phreeqcpp/cvode.h
src/phreeqcpp/Keywords.h
src/phreeqcpp/CurveObject.h
src/phreeqcpp/Use.h
src/phreeqcpp/transport.cpp
src/phreeqcpp/Reaction.h
src/phreeqcpp/dumper.h
src/phreeqcpp/StorageBin.cpp
src/phreeqcpp/nvector.h
src/phreeqcpp/print.cpp
src/phreeqcpp/runner.h
src/phreeqcpp/Surface.h
src/phreeqcpp/Utils.cpp
src/phreeqcpp/NameDouble.cpp
src/phreeqcpp/PPassemblageComp.cpp
src/phreeqcpp/GasComp.cpp
src/phreeqcpp/PPassemblage.cpp
src/phreeqcpp/nvector.cpp
src/phreeqcpp/kinetics.cpp
src/phreeqcpp/input.cpp
src/phreeqcpp/smalldense.h
src/phreeqcpp/Solution.cpp
src/phreeqcpp/PHRQ_io.h
src/phreeqcpp/sundialsmath.h
src/phreeqcpp/PHRQ_io.cpp
src/phreeqcpp/model.cpp
src/phreeqcpp/Dictionary.cpp
src/phreeqcpp/UserPunch.h
src/phreeqcpp/System.cpp
src/phreeqcpp/ISolution.cpp
src/phreeqcpp/Phreeqc.cpp
src/phreeqcpp/Parser.cpp
src/phreeqcpp/SolutionIsotope.cpp
src/phreeqcpp/GasComp.h
src/phreeqcpp/ChartHandler.cpp
src/phreeqcpp/PHRQ_io_output.cpp
src/phreeqcpp/phrqtype.h
src/phreeqcpp/sundialsmath.cpp
src/phreeqcpp/SelectedOutput.h
src/phreeqcpp/Dictionary.h
src/phreeqcpp/structures.cpp
src/phreeqcpp/prep.cpp
src/phreeqcpp/dumper.cpp
src/phreeqcpp/utilities.cpp
src/phreeqcpp/Serializer.h
src/phreeqcpp/Pressure.h
src/phreeqcpp/sit.cpp
src/phreeqcpp/SolutionIsotope.h
src/phreeqcpp/GasPhase.cpp
src/phreeqcpp/SurfaceComp.h
src/phreeqcpp/isotopes.cpp
src/phreeqcpp/tidy.cpp
src/phreeqcpp/gases.cpp
src/phreeqcpp/inverse.cpp
src/phreeqcpp/cxxMix.cpp
src/phreeqcpp/KineticsComp.h
src/phreeqcpp/NameDouble.h
src/phreeqcpp/UserPunch.cpp
src/phreeqcpp/SScomp.cpp
src/phreeqcpp/Exchange.h
src/phreeqcpp/PPassemblage.h
src/phreeqcpp/cxxKinetics.h
src/IPhreeqchpp.h
src/IPhreeqcLib.cpp
src/IPhreeqcCallbacks.h
NAMESPACE
data
data/databases.rda
data/examples.rda
R
R/phreeqc.R
MD5
DESCRIPTION
man
man/ex17.Rd man/ex3.Rd man/ex16.Rd man/ex12.Rd man/phrGetDumpFileOn.Rd man/phrGetErrorFileOn.Rd man/phrGetDumpStrings.Rd man/phrSetErrorFileName.Rd man/phrSetErrorStringsOn.Rd man/phrLoadDatabaseString.Rd man/phrSetSelectedOutputFileName.Rd man/ex8.Rd man/phrRunFile.Rd man/phrGetErrorStrings.Rd man/phrGetOutputFileName.Rd man/ex15.dat.Rd man/phrGetErrorStringsOn.Rd man/ex15.Rd man/phrSetOutputFileName.Rd man/phrAccumulateLine.Rd man/phrGetComponentList.Rd man/phrRunString.Rd man/phreeqc-package.Rd man/phrGetLogFileOn.Rd man/phrSetDumpFileName.Rd man/ex2.Rd man/sit.dat.Rd man/phrGetSelectedOutputFileName.Rd man/phrGetWarningStrings.Rd man/phrGetSelectedOutput.Rd man/phrRunAccumulated.Rd man/ex7.Rd man/phrGetLogFileName.Rd man/phrSetLogFileName.Rd man/phrClearAccumulatedLines.Rd man/ex19.Rd man/ex4.Rd man/phrSetOutputFileOn.Rd man/ex1.Rd man/phrSetDumpStringsOn.Rd man/phrSetDumpFileOn.Rd man/phrGetOutputFileOn.Rd man/phrLoadDatabase.Rd man/phrGetDumpStringsOn.Rd man/ex21.Rd man/phrGetAccumulatedLines.Rd man/phrGetErrorFileName.Rd man/wateq4f.dat.Rd man/ex20.Rd man/phrGetOutputStringsOn.Rd man/minteq.v4.dat.Rd man/phrGetLogStrings.Rd man/ex13.Rd man/phrGetDumpFileName.Rd man/ex5.Rd man/phrSetErrorFileOn.Rd man/iso.dat.Rd man/ex10.Rd man/ex22.Rd man/phrGetLogStringsOn.Rd man/phrSetSelectedOutputFileOn.Rd man/ex6.Rd man/phrGetOutputStrings.Rd man/phreeqc.dat.Rd man/phrSetLogFileOn.Rd man/phrSetLogStringsOn.Rd man/pitzer.dat.Rd man/minteq.dat.Rd man/ex18.Rd man/Amm.dat.Rd man/llnl.dat.Rd man/ex14.Rd man/ex9.Rd man/ex11.Rd man/phrSetOutputStringsOn.Rd
LICENSE

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All documentation is copyright its authors; we didn't write any of that.