MINERALS
The keyword block MINERALS refers to any solid-aqueous phase heterogeneous reaction, mineral-water reactions being the most common of these. The keyword parameters for this block are simply the names of the solid phases involved in the reaction.
All mineral or solid-aqueous phase reactions are considered to be kinetic in CrunchODiTi, except in the initialization procedure where equilibrium with a solid phase may be selected. In practice, equilibrium with respect to solid phases is attained by choosing rate coefficients that are large relative to transport rates.
Example
MINERALS
Celestite
-label example_in_manual
-rate(25C) -7.66
-activationenergy 8.1260
-freeenergydependence 2.06 0.49 1
END
Secondary keywords
-label
-label name
The label option can be used to construct an overall rate of reaction that is the sum of a number of parallel reaction pathways. An example would to use several database entries for Calcite with differing labels and rate laws to capture both the pH independent and pH dependent rates.
-rate(25c)
-rate(25c) value
The value is given in log10 scale
-activationenergy
-monod
-inhibition
-dependence
-freeenergydependence
-precipitationonly
-precipitationonly [true/false]
-dissolutiononly
-dissolutiononly [true/false]