Modeling of the Kinetics and Mechanism of the Formation of Nanoparticles in a Polymer Matrix upon Thermal Decomposition of Solid Metal-Containing Polymers

Nanostructured Materials Preparation via Condensation Ways

“…Despite the complexity of multistage physicochemical transformations that accompany the solid-state thermolysis of metallopolymers [506] three key macroscopic stages can be distinguished:…”

“…At the end of the experiment, the results are presented as the dependence of ln(C + 1)/ln(C max + 1) and J(N) on t, i.e., the time dependence of the cluster size distribution (( Fig. 6.33) [506,509] where C max is the greatest number of clusters at time instant t; J(N) is the cluster size distribution where J is the number of N-dimensional clusters. As a result, the accumulation kinetics of a specified Nth cluster is obtained.…”

“…Presumably, further increase in the computing time (Z ) 100) may produce a unimodal particle size distribution with a much greater mean size. The considered results of modelling of the kinetics of formation of metallic clusters upon thermolysis of the metal-containing fragments of the polymeric media with different structural organization demonstrate [506,509] the growth of nanoclusters, which may reach rather large sizes. These models are efficient and can be extended to other objects.…”

Formation of metal-containing nanoparticles in polymer matrix. Computer simulation of clusterization kinetics during the solid-phase thermal decomposition of metal-containing precursors

“…Methods of computer simulation of nanoparticle synthesis intensely developing in recent years [13][14][15][16][17][18][19] +M +M +M +M make it possible to elucidate to same extent the formation mechanism of nanosized systems.…”