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.

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 publication2015-10-01 13:18:54
MaintainerS.R. Charlton <charlton@usgs.gov>
LicenseGPL-3 + file LICENSE
Version3.3.1
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.

Files in this package

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

Questions? Problems? Suggestions? or email at ian@mutexlabs.com.

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