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Soot Formation in Combustion pp 165–192Cite as

Detailed Mechanism and Modeling of Soot Particle Formation

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Part of the book series: Springer Series in Chemical Physics ((CHEMICAL,volume 59))

Abstract

A detailed chemical reaction model for the growth of polycyclic aromatic hydrocarbons and soot particle nucleation and growth is presented. The model begins with fuel pyrolysis, followed by the formation of polycyclic aromatic hydrocarbons, their “planar” growth and coagulation into spherical particles, and finally, surface growth and oxidation of the particles. The surface processes are described in terms of elementary chemical reactions of surface active sites. The method of moments is used to express the mathematical formalism of the undergoing chemical and physical processes. A new submodel is presented which is capable of calculating the optical properties of an arbitrary ensemble of soot particles. Computer simulations with this model are in quantitative agreement with experimental results from several laminar premixed hydrocarbon flames. The model predicts the classical picture of soot particle inception and the classical description of soot particle structure.

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Author information

Authors and Affiliations

  1. Department of Material Science and Engineering, Pennsylvania State University, University Park, PA, 16802, USA

    Michael Frenklach & Hai Wang

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  1. Michael Frenklach
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  2. Hai Wang
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Editors and Affiliations

  1. Fachbereich Chemie, Universität Kaiserslautern, Erwin-Schrödinger-Strasse, Gebäude 54, D-67663, Kaiserslautern, Deutschland

    Henning Bockhorn

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© 1994 Springer-Verlag Berlin Heidelberg

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Frenklach, M., Wang, H. (1994). Detailed Mechanism and Modeling of Soot Particle Formation. In: Bockhorn, H. (eds) Soot Formation in Combustion. Springer Series in Chemical Physics, vol 59. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-85167-4_10

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  • DOI: https://doi.org/10.1007/978-3-642-85167-4_10

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-85169-8

  • Online ISBN: 978-3-642-85167-4

  • eBook Packages: Springer Book Archive

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