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Description of Input and Examples for PHREEQC
Version 3--A Computer Program for Speciation, Batch-Reaction, One-Dimensional Transport, and Inverse Geochemical Calculations
By David L. Parkhurst and C.A.J. Appelo
Capabilities of PHREEQC Version 3
PHREEQC Modules for Use with Scripting and Programming Languages
Types and Sequence of Calculations
Initial Solution or Speciation Calculations
Initial Gas-Phase Calculations
Advective-Transport Calculations
Advective-Dispersive Transport Calculations
Cell Batch-Reaction Calculations
Reducing Chemical Equations to a Standard Form
2. Equilibration With Pure Phases
4. Evaporation and Homogeneous Redox Reactions
9. Kinetic Oxidation of Dissolved Ferrous Iron With Oxygen
10. Aragonite-Strontianite Solid Solution
11. Transport and Cation Exchange
12. Advective and Diffusive Flux of Heat and Solutes
13. 1D Transport in a Dual Porosity Column With Cation Exchange
14. Advective Transport, Cation Exchange, Surface Complexation, and Mineral Equilibria
15. 1D Transport: Kinetic Biodegradation, Cell Growth, and Sorption
16. Inverse Modeling of Sierra Spring Waters
17. Inverse Modeling With Evaporation
18. Inverse Modeling of the Madison Aquifer
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
20. Distribution of Isotopes Between Water and Calcite
21. Modeling Diffusion of HTO, 36Cl-, 22Na+, and Cs+ in a Radial Diffusion Cell
22. Modeling Gas Solubilities: CO2 at High Pressures
Appendix A. Keyword Data Blocks for Programmers
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