Fritz,B., Clement(最初のeの頭に´),A., Amal,Y. and Noguera,C.(2009): Simulation of the nucleation and growth of simple clay minerals in weathering processes: The NANOKIN code. Geochimica et Cosmochimica Acta, 73, 1340-1358.

『風化過程における単純な粘土鉱物の核形成と成長のシミュレーション:NANOKINコード』


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


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