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A study of the aggregation of silica sol particles is presented by using a Monte Carlo simulation including the reaction parameters: activation energy, temperature, and particle concentration. In this simulation, all of the system particles are classified as active and inactive types; only the activated particles can aggregate into clusters, and consequently the aggregation exhibits selectivity. The...
The microstructures of lamellae of hydrotalcites with Mg/Al ratio of two are studied using quantum chemical method. A series of molecular cluster models of lamellae are established. The geometries of lamellae are computed by semiempirical molecular orbital methods (MNDO/d and PM3). The optimized cluster models show a hexagonal morphology. The Mg/Al ratio of lamella is found to be an alterable number...
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