Soot formation in binary hydrocarbon mixtures

Frenklach, Michael; Yuan, Tony; Ramachandra, M. K.

doi:10.1021/ef00010a013

Cited by 101 publications

(62 citation statements)

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“…These products of partial combustion are the species generally believed to lead to the formation of the polycyclic aromatic hydrocarbons (PAHs) that are the building blocks for particulates in flames (45)(46)(47)(48)(49)(50).…”

Section: Particulate Formationmentioning

confidence: 99%

Diesel Combustion: An Integrated View Combining Laser Diagnostics, Chemical Kinetics, And Empirical Validation

Flynn

Durrett

Hunter

et al. 1999

SAE Technical Paper Series

330

201

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February 1999This is a preprint of a paper intended for publication in a journal or proceedings. Since changes may be made before publication, this preprint is made available with the understanding that it will not be cited or reproduced without the permission of the author. PREPRINTThis paper was prepared for submittal to the DISCLAIMER This document was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the University of California nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or the University of California. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or the University of California, and shall not be used for advertising or product endorsement purposes. 1999-01- Charles K. WestbrookLawrence Livermore National Laboratory ABSTRACT This paper proposes a structure for the diesel combustion process based on a combination of previously published and new results. Processes are analyzed with proven chemical kinetic models and validated with data from production-like direct injection diesel engines. The analysis provides new insight into the ignition and particulate formation processes, which combined with laser diagnostics, delineates the twostage nature of combustion in diesel engines. Data are presented to quantify events occurring during the ignition and initial combustion processes that form soot precursors.A framework is also proposed for understanding the heat release and emission formation processes.

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Section: Particulate Formationmentioning

confidence: 99%

Diesel Combustion: An Integrated View Combining Laser Diagnostics, Chemical Kinetics, And Empirical Validation

Flynn

Durrett

Hunter

et al. 1999

SAE Technical Paper Series

330

201

View full text Add to dashboard Cite

show abstract

“…non-Kekulean. and total resonant sextet (all-benzenoid systems) benzenoid groups which are of poten tial interest to experimental chemists [23,24], Accord ing to Hall [28]. "The periodic table of Dias is a very helpful device for this purpose [28]."…”

Section: Discussionmentioning

confidence: 99%

“…As the simplest example, the main route to benzenoids in benzene pyrolysis is the formation of biphenyl by addition of phenyl to benzene followed by sequential addition of two acetylene molecules concomitant with loss of two H 2 to form pyrene, the smallest strictly peri-condensed benzenoid [23]. In general, strictly peri-condensed benzenoids have formulas on the left-hand diagonal of Table 1, are without coves or fjords on their perime ters.…”

Section: C6h2 Schemementioning

confidence: 99%

A Formula Periodic Table for Benzenoid Hydrocarbons and the Aufbau and Excised Internal Structure Concepts in Benzenoid Enumerations

Dias

1989

Zeitschrift Für Naturforschung A

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The genesis of two concepts of recent importance to isomeric polyhex enumeration is traced. As it will become evident from this review, the philosophy of our approach stresses the enumeration of select benzenoid groups of practical interest to chemists. These concepts were pivotal to the first published enumerations of the strictly peri-condensed, non-Kekulean, and essentially strain-free total resonant sextet benzenoid groups.

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“…Relatively, the study on soot formation in the combustion of binary fuels or fuel mixtures is limited. In the literature, there is conflicting experimental evidence of the existence of synergistic phenomenon in soot formation of binary fuels [1,2]. In this context, a synergistic phenomenon means that soot formation in the flame of a mixture fuel is higher than the linear combination of the flames of both pure fuels.…”

Section: Introductionmentioning

confidence: 99%

“…In this context, a synergistic phenomenon means that soot formation in the flame of a mixture fuel is higher than the linear combination of the flames of both pure fuels. Frenklach [1] showed the presence of such a synergistic phenomenon in soot formation of numerous mixtures and indicated that the phenomenon could be due to the acetylene based inception and growth mechanisms. Hwang et al [2,3] investigated the effects of propane and oxygen addition on soot formation in ethylene diffusion flames.…”

Section: Introductionmentioning

confidence: 99%

A Numerical Investigation on Soot Formation From Laminar Diffusion Flames of Ethylene/Methane Mixture

Guo

Trottier²,

Johnson

et al. 2008

Heat Transfer: Volume 3

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The sooting propensity of laminar diffusion flames employing ethylene/methane mixture fuel is investigated by numerical simulation. Detailed gas phase chemistry and moments method are used to describe the chemical reaction process and soot particle dynamics, respectively. The numerical model captures the primary features experimentally observed previously. At constant temperatures of air and fuel mixture, both maximum soot volume fraction and soot yield monotonically decrease with increasing the fraction of carbon from methane in the fuel mixture. However, when the temperatures of air and fuel mixture are preheated so that the adiabatic temperatures of all flames are same, the variation of the maximum soot yield becomes higher than what would be expected from a linear combination of the flames of pure ethylene and pure methane, showing a synergistic phenomenon in soot formation. Further analysis of the details of the numerical results suggests that the synergistic phenomenon is caused by the combined effects of the variations in the concentrations of acetylene (C 2 H 2 ) and methyl radical (CH 3 ). When the fraction of carbon from methane in fuel mixture increases, the concentration of C 2 H 2 monotonically decreases, whereas that of methyl radical increases, resulting in a synergistic phenomenon in the variation of propargyl (C 3 H 3 ) radical concentration due to the reactions C 2 H 2 + CH 3 = PC 3 H 4 + H and PC 3 H 4 + H = C 3 H 3 + H 2 . This synergistic phenomenon causes a qualitatively similar variation trend in the concentration of pyrene (A4) owing to the reaction paths C 3 H 3 → A1 (benzene) → A2 (naphthalene) → A3 (phenanthrene) → A4. Consequently, the synergistic effect occurs for soot inception and PAH condensation rates, leading to the synergistic phenomenon in soot yield. The similar synergistic phenomenon is not observed in the variation of peak soot volume fraction, since the maximum surface growth rate monotonically decreases, as the fraction of carbon from methane in fuel mixture increases.

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Soot formation in binary hydrocarbon mixtures

Cited by 101 publications

References 0 publications

Diesel Combustion: An Integrated View Combining Laser Diagnostics, Chemical Kinetics, And Empirical Validation

Diesel Combustion: An Integrated View Combining Laser Diagnostics, Chemical Kinetics, And Empirical Validation

A Formula Periodic Table for Benzenoid Hydrocarbons and the Aufbau and Excised Internal Structure Concepts in Benzenoid Enumerations

A Numerical Investigation on Soot Formation From Laminar Diffusion Flames of Ethylene/Methane Mixture

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