Model of Cation Adsorption on Allophanic Andisols : I. Theory and Algorithm
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A new model of cation adsorption on allophanic Andisols was proposed. This model assumes that cations are adsorbed in the internal space of the hollow spherical ball of allophane either in the form of a diffuse ion or through the formation of surface complexes with SO- groups arranged on the inner surface swarm. The distinctive characteristics of this model is that the mean-field approximation was not adopted, but the Coulomb potential among charged particles was directly evaluated by using the primitive restricted model (Valeau and Cohen 1980: J. Chem. Phys., 72, 5935-5941) and the grand canonical Monte Carlo (GCMC) simulation. This report introduces the theory and the algorithm of the GCMC simulation.
- 社団法人日本土壌肥料学会の論文
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