| ex20a {phreeqc} | R Documentation |
Example 20–Distribution of Isotopes Between Water and Calcite
Description
The database iso.dat implements the approach to
isotope reactions described by Thorstenson and Parkhurst (2002, 2004), in
which minor isotopes are treated as individual thermodynamic components. The
aqueous and solid species of minor isotopes have slightly different
equilibrium constants than those of the major isotopes, which account for
fractionation processes. The treatment of isotopes in gases requires a
separate species for each isotopic variant of a gas; for example, the
isotopic variants of carbon dioxide are CO2, C18OO, C18O2, 13CO2, 13C18OO,
and 13C18O2. Similarly, every isotopic variant of a mineral must be included
as a component of a solid solution to represent completely the isotopic
composition of the solid. The equilibrium constants in iso.dat are derived
from empirical fractionation factors, from statistical mechanical theory,
or, where no data are available (the most common case), by assuming no
fractionation. However, the database is a framework that can be expanded as
additional isotopic thermodynamic data become available. The example can be
run using the phrRunString routine.
Source
http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc
References
https://pubs.usgs.gov/tm/06/a43/pdf/tm6-A43.pdf
See Also
Other Examples:
ex1,
ex10,
ex11,
ex12,
ex13a,
ex14,
ex15,
ex16,
ex17,
ex18,
ex19,
ex2,
ex21,
ex22,
ex3,
ex4,
ex5,
ex6,
ex7,
ex8,
ex9
Examples
phrLoadDatabaseString(iso.dat)
phrSetOutputStringsOn(TRUE)
phrRunString(ex20a)
phrGetOutputStrings()