Macroscopic Model of Nucleation during the Condensation of Copper Vapor in an Inert Gas

Statistical analysis of homogeneous nucleation of metallic nanoparticles during gas-phase synthesis

“…We considered that θ is distributed according to equation ( 4). This hypothesis is confirmed by the results of MD simulation [21].…”

“…It means that between reactions (1a) and (1b) energies of atoms in the cluster come into a balance. This hypothesis is confirmed by the results of MD simulation [21] and the fact that the metal atom escaping from the cluster may be different from the coming up one. The average kinetic energy of the escaping atom T CM 1 k + 1, ε k+1 was found in [21] with the errors from ∼2%-3% to ∼30% for different ε k+1 .…”

“…This hypothesis is confirmed by the results of MD simulation [21] and the fact that the metal atom escaping from the cluster may be different from the coming up one. The average kinetic energy of the escaping atom T CM 1 k + 1, ε k+1 was found in [21] with the errors from ∼2%-3% to ∼30% for different ε k+1 . The error of about 50% in the reproduction of the energy released upon evaporation is rather common for all unimolecular rate theories [19,28], so the accuracy of the proposed theory is not inferior to Rice-Ramsperger-Kassel or Weisskopf theories [29][30][31].…”

“…In our previous works [21][22][23][24][25] we performed the series of MD simulations of copper vapour condensation in argon atmosphere and made statistical analysis of all cluster-atom interactions in the systems. Simulation cell had up to 10 thousand copper atoms and up to 30 thousand argon atoms.…”

“…Cluster-monomer interactions (1a) and (1b) were investigated in [21], the details of which are briefly described below.…”