Resonance-stabilized hydrocarbon-radical chain reactions may explain soot inception and growth

Author:

Johansson K. O.1ORCID,Head-Gordon M. P.23ORCID,Schrader P. E.1,Wilson K. R.3ORCID,Michelsen H. A.1ORCID

Affiliation:

1. Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94550, USA.

2. Department of Chemistry, University of California Berkeley, Berkeley, CA 94720, USA.

3. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.

Abstract

A radical route to soot The chemical origin of soot is a persistent puzzle. It is clear that small hydrocarbon fragments formed in flames must aggregate into larger particles, but the initial driving force for aggregation remains a mystery. Johansson et al. combined theory and mass spectrometry to suggest a solution based on resonance-stabilized radicals (see the Perspective by Thomson and Mitra). Aromatics such as cyclopentadiene have a characteristically weak C–H bond because their cleavage produces radicals with extended spans of π-electron conjugation. Clusters thus build up through successive coupling reactions that extend conjugation in stabilized radicals of larger and larger size. Science , this issue p. 997 ; see also p. 978

Funder

U.S. Department of Energy

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

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