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Zeitschrift für Physikalische Chemie

International journal of research in physical chemistry and chemical physics

Editor-in-Chief: Rademann, Klaus


IMPACT FACTOR 2017: 1.144
5-year IMPACT FACTOR: 1.144

CiteScore 2017: 1.08

SCImago Journal Rank (SJR) 2017: 0.495
Source Normalized Impact per Paper (SNIP) 2017: 0.495

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2196-7156
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Volume 223, Issue 4-5

Issues

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

Abstract

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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[2]
Lars Seidel, Kai Moshammer, Xiaoxiao Wang, Thomas Zeuch, Katharina Kohse-Höinghaus, and Fabian Mauss
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[3]
A. Nawdiyal, N. Hansen, T. Zeuch, L. Seidel, and F. Mauß
Proceedings of the Combustion Institute, 2015, Volume 35, Number 1, Page 325
[4]
Marina Schenk, Larisa Leon, Kai Moshammer, Patrick Oßwald, Thomas Zeuch, Lars Seidel, Fabian Mauss, and Katharina Kohse-Höinghaus
Combustion and Flame, 2013, Volume 160, Number 3, Page 487
[5]
Elke Goos, Christina Sickfeld, Fabian Mauß, Lars Seidel, Branko Ruscic, Alexander Burcat, and Thomas Zeuch
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[6]
Abhijeet Raj, Iran David Charry Prada, Amer Ahmad Amer, and Suk Ho Chung
Combustion and Flame, 2012, Volume 159, Number 2, Page 500
[7]
Patrick Oßwald, Katharina Kohse-Höinghaus, Ulf Struckmeier, Thomas Zeuch, Lars Seidel, Larisa Leon, and Fabian Mauss
Zeitschrift für Physikalische Chemie, 2011, Volume 225, Number 9-10, Page 1029

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