PAH formation in acetylene–benzene pyrolysis

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Publication Date
DOI 10.1039/A903306H
Impact Factor 3.676
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Abstract

The contributions of different reaction pathways to the formation of polycyclic aromatic hydrocarbons (PAHs), the actual soot precursors, were investigated for the shock tube pyrolysis of acetylene, benzene and an acetylene–benzene (1:1) mixture. This study provides information on the principal reaction steps leading to the fast formation of high molecular weight PAHs before soot inception. It is found that reaction pathways to high molecular weight PAHs and soot precursors including only successive growth steps of aliphatic hydrocarbons are in disagreement with the measured induction time of soot formation taken from the literature. The limiting, most time-consuming step in this reaction sequence is shown to be the formation of “outer rings’', that is, PAHs consisting of four-carbon bay structures. In the model developed in the present study, these difficulties are overcome by introducing combinative reaction steps of aryls.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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