Informational approach to self-assembling aggregation of colloidal nanoparticles

A well-known Cluster–Cluster Aggregation (CCA) model is used for researching some self-organizing aggregations of colloidal nanoparticles. Novelty of exploration is assuming that a set of Shannonʹs information entropy maximums in the aggregate topological graph determines a trend of hydrosolsʹ coagulation process, including integration of Ultra Dispersible Diamond (UDD). Taking under consideration a set of cubic-formed nanoclusters, which occupy minimal cubic cages of 30 × 30 × 30 and 60 × 60 × 60 cells in physical space, virtual nanoscale agglomerates are synthesized at different concentrations of clusters. Analyzing the nanosynthetics is fulfilled by usage the aggregate topological graphs, in which vertexes and ribs denote nanoclusters and their mutual bonds, respectively. It is revealed that decreasing of intrinsic energy (enthalpy) determines driving force of the agglomeration process and at the same time the topological information entropy is the controlling factor of the self-assembly morphology. Mutual correlations between porosity, fractal dimension, specific surface area, intrinsic energy, and topological information entropy of aggregates are presented. It is shown that theoretically minimal fractal dimension Dmin = 2.21 of self-assembling dispersible “loose gel”, is actually the same, in comparison with experimental value for colloidal UDD.