Appelo and Postma: Geochemistry, Groundwater and Pollution

From the reviews:
" This book presents important fundamental concepts and current knowledge of groundwater geochemistry...."
(Sabine Goldberg, Vadose Zone J.). Read the full review (13 kb pdf)
" This book is an absolute must for everyone interested in groundwater quality..."
(Pieter Stuyfzand and Boris van Breukelen, H2O). Read the full review (in Dutch, 473 kb gif)

The book's price (xviii + 649 pages) is 25 GBP / appr. 45 USD / appr. 37 Euro in paperback (ISBN 04 1536 428 0) or 60 GBP hardbound (ISBN 04 1536 421 3).
It can be ordered via website www.crcpress.com
or contact
          CRC Press
          6000 Broken Sound Parkway, NW, (Suite 300), Boca Raton, FL 33487, USA
          Tel: 1(800)272-7737 or (561)994-0555
          Fax: 1(800)374-3401 or (561)989-9732
or
          A.A. Balkema Publishers
          P.O. Box 447, 2300 AK, Leiden, The Netherlands
          Tel: +31 71 524 3080
          Fax: +31 71 523 4571

Some errors were found in the first 3 printings of the book and we like to thank all who have noted them, and who notified us.
The errors and other typographic mistakes were corrected in the 4th printing in 2009.
If you find more errors, please e-mail them to Tony Appelo.

Chapter 1 : Introduction to Groundwater Geochemistry

For drinking water standards see WHO or EPA
Program for drawing Stiff diagrams
Program for drawing Piper diagrams

Chapter 3 : Flow and Transport

For modeling and visualizing 2D transport in aquifers get Hsieh's TopoDrive&ParticleFlow
A very easy, but old DOS program for visualizing 2D waterflow is Flownet
Various analytical models for 1D transport are included in STANMOD .

Chapter 4 : Minerals and Water

PHREEQC-2 and a manual can be downloaded from David Parkhurst's site.
A manual condensed in 15 easy Get-going Sheets will let you make a quick start (100 kb pdf, Appendix A in the book).
Vincent Post's PHREEQC-2 for WINDOWS has an easy input window and can plot the calculation results directly on screen.

Chapter 5 : Carbonates and CO₂

The atomic structure of minerals and molecules can be displayed with Dowty's computer program Atoms.
A useful review of laboratory experiments on dolomite synthesis is given in Deelman's book.

EXAMPLE 5.5.	Dissolution of calcite as function of CO2 pressure.
EXAMPLE 5.9.	Compare calcite rate equations with PHREEQC.
EXAMPLE 5.10.	PHREEQC calculation of delta 13C during dissolution of calcite.
EXAMPLE 5.11.	PHREEQC calculation of delta 13C during dedolomitization.
Problem 5.15.	PHREEQC simulation of calcite/dolomite reactions in the soil at Trout Creek.
Problem 5.16.	Mix Caribbean seawater and local fresh groundwater with PHREEQC.
Problem 5.19.	Calculate the kinetics of CO2 hydration.
Problem 5.20.	Initial activity of 14C depends on initial CO2 pressure when calcite dissolves in water closed with respect to CO2 gas.
Problem 5.21.	PHREEQC simulation of pH dependent enrichment in CO2(g), using enrichment factors. or using fractionation factors.

Chapter 6 : Ion Exchange

DOS program for Piper plot with mixing line : piper.exe (zipped executable, 107 kb). On XP machines: run piper.exe in dosbox from dosbox.sourceforge.net
Appelo and Parkhurst (2002): How to include any exchange equation in PHREEQC. (pdf, 52 kb)
MIE by Van Veldhuizen, Hendriks and Appelo (1998): Dispersion-free calculation of Multicomponent Ion Exchange. (zipped executable with program and paper, 1.2 Mb)

EXAMPLE 6.6.	The Rothmund-Kornfeld equation in PHREEQC
EXAMPLE 6.7.	Simulate the determination of exchangeable cations with PHREEQC
EXAMPLE 6.11.	PHREEQC model for Valocchi's field injection experiment
Figure 6.28.	PHREEQC simulation of sea water intrusion into a fresh water aquifer
Figure 6.33.	PHREEQC model for a column with stagnant zones
Figure 6.39.	MATLAB program for calculating concentrations in the double layer on a charged surface, with varying closest approach distance for different ions. (zipped executable, 44 kb)

Chapter 7 : Sorption of Trace Metals

For calculating complexation on organic matter get Tipping and Hurley's database WHAM in PHREEQC format. (T&H.DAT, 78 kb)
MINTEQ can calculate triple layer model for surface complexation : Visual MINTEQ.

Table 7.9.	Calculate complexation of Cd on humic acid (fig. 10 of Tipping and Hurley, 1992).
EXAMPLE 7.11.	Calculate sorption of Cd onto organic matter in loamy sand.
Table 7.10.	PHREEQC input file for calculating kinetic sorption of Pb onto weak and strong sites in ferrihydrite. (the ode solver is available in PHREEQC 2.9)
EXAMPLE 7.12.	Calculate heavy metal removal from groundwater with Fe+2 oxidation during aeration and filtration.
Problem 7.21.	Calculate sorption isotherm for CO2 on ferrihydrite.
Problem 7.22.	Compare double layer concentrations and the Donnan formula with PHREEQC.

Chapter 8 : Silicate Weathering

EXAMPLE 8.1.	Incongruent dissolution of K-feldspar
EXAMPLE 8.3.	Mass balance calculation of mineral weathering using PHREEQC
EXAMPLE 8.4.	Dissolution kinetics of K-feldspar as calculated by PHREEQC
EXAMPLE 8.4. (Question 1)	Include dissolution kinetics of quartz in Example 8.4
EXAMPLE 8.5.	Acid groundwater formation and gibbsite buffering
EXAMPLE 8.6.	Modeling acidification with PHREEQC

Chapter 9 : Redox Processes

Table 9.3.	Log K's for reactions among (selected) As species. ( PHREEQC input file )
EXAMPLE 9.9.	Modeling gas loss during pyrite oxidation with oxygen
EXAMPLE 9.9. (Question)	Estimate the surface area of pyrite in a tip heap. ( PHREEQC input file )
EXAMPLE 9.11.	Bemidji oil spill... react C6H6 with goethite and/or ferment. ( PHREEQC input file )
EXAMPLE 9.12.	pH buffering by pyrite and kinetically dissolving iron oxides. ( PHREEQC input file )

Chapter 10 : Pollution by Organic Chemicals

The screening model by Jury et al. (1983) is useful for estimating the fate of organic chemicals. It is a part of STANMOD .

EXAMPLE 10.3.	Calculate sorption and ion exchange with PHREEQC
Table 10.3.	Sorption of CCl4 in a dual porosity aquifer
EXAMPLE 10.5.	Model the extraction of a DNAPL pool with PHREEQC
EXAMPLE 10.5. (Question)	Add 1,1,2 TCA to a mixture of 1,1,1 TCA and PCE, and extract
EXAMPLE 10.7.	PHREEQC model of phenol degradation
EXAMPLE 10.8.	Xylene degradation with biomass growth
EXAMPLE 10.9.	Speciation of EDTA in Glatt River water
EXAMPLE 10.10.	Kinetic exchange of Fe(3)EDTA (the ode solver is available in PHREEQC 2.9 and higher)
Problem 10.3.	Model naphthalene column experiment of Bayard et al., 2000
Problem 10.4.	Estimate the half-life of CO2 dehydration
Problem 10.5.	How much calcite precipitates in your tea kettle?

Chapter 11 : Numerical Modeling

For running the Pascal programs from Chapter 11 a compiler is needed. Visit Free Pascal or download here the old DOS Turbo Pascal 5.0 ( zipped file, 217 kb)
The 3-dimensional reactive transport model PHAST can be downloaded from David Parkhurst's site.
John Doherty's non-linear, least squares parameter optimization program PEST can be downloaded from the PEST website.

EXAMPLE 11.2.	Pascal program to model Cl diffusion
EXAMPLE 11.3.	Implicit calculation of Cl diffusion (Pascal program)
EXAMPLE 11.4.	Model the linear retardation of γ-HCH in a laboratory column (Pascal program)
EXAMPLE 11.5.	Effect of the Freundlich exponent on column breakthrough curves (Pascal program)
Figures 11.10-11.	Tritium/Helium profiles and ages in a homogeneous phreatic aquifer with different diffusion coefficients and boundary conditions for He and ³H. Two files are needed tr_he.pas (Pascal program) and tritum input in rain tr_rain (ascii file)
Figure 11.13.	Tritium and tritium/helium age profiles calculated in 2D with PHAST. Two files are needed tr_he.trans.dat and tr_he.chem.dat (both ascii files)
Figure 11.15. (Question)	Goethite oxidizes toluene polluted groundwater (PHREEQC input file)
Figure 11.20.	Kinetic reaction of pyrite and goethite (and kaolinite and K-feldspar) with acid mine water (PHREEQC input file)
Figure 11.28.	Optimize surface complexation constants from laboratory data using PHREEQC and PEST (zipped executable, 0.41 Mb)