Exact mechanism of soot formation from gaseous precursors

Determine the exact mechanism by which soot particulates form from gaseous hydrocarbon precursors, accounting for the complexity of the hydrocarbon reaction network and the relevant temporal and spatial scales of soot formation processes.

Background

Soot forms through a series of physicochemical events beginning with gas-phase precursors and progressing through nucleation, growth, and aggregation, but the detailed mechanistic steps linking gaseous species to particulate soot remain unresolved.

This uncertainty motivates the use of reactive molecular dynamics and related tools to probe early soot formation and the internal structure of nascent particles.