『Abstract
We present a numerical approach which accounts for nucleation,
growth and/or resorption of particles of fixed composition in
aqueous solutions, and which involves functionalities suited to
the formation of simple clay minerals in weathering processes,
such as: formation of non-spherical particles, heterogeneous/homogeneous
nucleation, several growth laws, precipitation resulting from
the dissolution of primary minerals. The overall model is now
embedded into a new numerical code called NANOKIN, in which several
optimization procedures have been introduced in order to allow
long dynamics to be followed. NANOKIN was applied to the precipitation
of Al-bearing minerals from aqueous solutions: halloysite, kaolinite
and Ca-montmorillonite. It allowed us to propose a stable scheme
for the competitive precipitation of halloysite and kaolinite
under two different types of initial conditions: (1) a given initial
super-saturation state of the aqueous solution; (2) progressive
super-saturation resulting from the kinetic dissolution of the
minerals from a granitic rock under weathering conditions. Both
yield particle sizes in the micron range, but with distinct crystal
size distribution functions. The interplay between kinetic and
thermodynamic effects is discussed.』
1. Introduction
2. Theory
2.1. Three-dimensional nucleation and growth
2.2. Quasi two-dimensional nucleation and growth
3. Numerical implementation
4. Applications
4.1. Precipitation of kaolinite
4.2. Competitive precipitation of halloysite and kaolinite
4.3. Granite dissolution
4.3.1. Dissolution of a “simple” granitic rock G1
4.3.2. Dissolution of a “more complex” granitic rock G2
5. Discussion
5.1. Comparison with previous models
5.2. Parameters of the simulation
5.2.1. Surface energy
5.2.2. Prefactor of the nucleation frequency F0
5.2.3. Maximum duration of the simulation
5.3. Precursor of precipitation
6. Conclusion
Acknowledgments
Appendix
References