Pressure-dependent rate constants for PAH growth: formation of indene and its conversion to naphthalene
Abstract
Unraveling the mechanisms for growth of polycyclic aromatic hydrocarbons (PAHs) requires accurate temperature- and pressure-dependent rate coefficients for a great variety of feasible pathways. Even the pathways for the formation of the simplest PAHs, indene and naphthalene, are fairly complex. These pathways provide important prototypes for modeling larger PAH growth. In this work we employ the ab initio RRKM theory-based master equation...
Paper Details
Title
Pressure-dependent rate constants for PAH growth: formation of indene and its conversion to naphthalene
Published Date
Jan 1, 2016
Journal
Volume
195
Pages
637 - 670
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