In
this work, soot particle size distributions in iron-doped premixed
ethylene flames are examined using scanning mobility particle sizer
measurements. It is found that iron addition promotes the growth in
soot particle size, and the enhanced particle coagulation is inferred
to be an important reason. To support that, the influence of iron
addition on the coagulation of polycyclic aromatic hydrocarbon (PAH)
clusters, the analogue of incipient soot particles, is further investigated
using molecular dynamics simulations. Based on the results of hundreds
of binary head-on collision simulations, the collision between two
coronene–Fe–coronene dimers is found to have a significantly
higher coagulation efficiency than that between two coronene dimers.
However, this enhancement effect weakens as the size of the PAH monomer
increases. Although the coagulation efficiency can be increased by
iron addition, the collision frequency is almost unaffected, as revealed
from the binary off-central collision simulations. Moreover, the simulation
results of coronene cluster growth via coagulation show that iron
addition promotes coronene cluster growth, leading to larger cluster
size, which may explain the larger soot particle size observed in
iron-doped flames.