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Zeitschrift für Physikalische Chemie

International journal of research in physical chemistry and chemical physics

Editor-in-Chief: Rademann, Klaus

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5-year IMPACT FACTOR: 1.144

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Volume 223, Issue 4-5


The Generation of a Compact n-Heptane / Toluene Reaction Mechanism Using the Chemistry Guided Reduction (CGR) Technique

S. S. Ahmed / F. Mauß / T. Zeuch
Published Online: 2009-09-25 | DOI: https://doi.org/10.1524/zpch.2009.6037


The present study describes the compilation and validation of a compact reaction mechanism for the oxidation of n-heptane, toluene and its mixtures using the Chemistry Guided Reduction (CGR) approach. By the module-wise composition of validated reaction schemes and the successive application of chemical lumping and redundant species removal for the n-heptane oxidation model, a compact mechanism is generated for reference fuel blends of n-heptane and toluene. The new mechanism is validated for recently published OH-concentrations histories and ignition times from shock tube studies, HCCI engine experiments and flame speed measurements. The good agreement between experiment and prediction demonstrates the general applicability of the CGR method.

Keywords: n-Heptane; Toluene; Chemistry Guided Reduction (CGR)

About the article

* Correspondence address: Universität Göttingen, Institut für Physikalische Chemie, Tammannstr. 6, 37077 Göttingen, Deutschland,

Published Online: 2009-09-25

Published in Print: 2009-05-01

Citation Information: Zeitschrift für Physikalische Chemie, Volume 223, Issue 4-5, Pages 551–563, ISSN (Online) 2196-7156, ISSN (Print) 0942-9352, DOI: https://doi.org/10.1524/zpch.2009.6037.

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