On modeling of the kinetics of aggregation in low-polar C₆₀ solutions

Abstract

Based on some recent experimental evidence, kinetics of cluster growth in a fullerene C₆₀ low-polar solution are considered within a model based on oxides C₆₀O_x as aggregation initializers. A system of equations for the time-evolution of the cluster-size distribution function is developed. First stage of clusters growth consists in formation of packed small C₆₀ clusters around separate fullerene oxides. For this stage analytical solutions of equations were obtained and compared with numerical results. During the next stages, cluster-cluster aggregation events start to play a role. First numerical results for stage II are obtained and discussed. The results are compared with experimental study of clusters growth in the saturated C₆₀/benzene solution by dynamic light scattering.

Keywords:

• fullerene solutions
• aggregation
• cluster growth
• kinetics
• kinetic equations

Acknowledgments

This work was supported by the JINR-SA grants (28/2020 #4 and 562/2022 #10). The numerical calculations were performed at the CICC cluster of the MLIT, JINR.