☆ 4.7 Article

A detailed kinetic model for aromatics formation from small hydrocarbon and gasoline surrogate fuel combustion

COMBUSTION AND FLAME (2023)

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Adventures on the C3H5O potential energy surface: OH plus propyne, OH plus allene and related reactions

Judit Zador et al.

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Soot precursor formation and limitations of the stabilomer grid

K. O. Johansson et al.

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Dissociation of ortho-benzyne radicals in the high temperature fall-off regime

Patrick T. Lynch et al.

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Pressure-dependent branching in the reaction of 1CH2 with C2H4 and other reactions on the C3H6 potential energy surface

Lili Ye et al.

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Rate coefficients and product branching ratios for the oxidation of phenyl and naphthyl radicals: A theoretical RRKM-ME study

V. V. Kislov et al.

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Experimental and modeling study of burning velocities for alkyl aromatic components relevant to diesel fuels

Marco Mehl et al.

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InChI, the IUPAC International Chemical Identifier

Stephen R. Heller et al.

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Hydrogen Abstraction/Acetylene Addition Revealed

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ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)

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An experimental and modeling study of propene oxidation. Part 1: Speciation measurements in jet-stirred and flow reactors

Sinead M. Burke et al.

COMBUSTION AND FLAME (2014)

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Structure of incipiently sooting ethylene-nitrogen counterflow diffusion flames at high pressures

Lorenzo Figura et al.

COMBUSTION AND FLAME (2014)

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Experimental investigation of the laminar burning velocities of methanol, ethanol, n-propanol, and n-butanol at high pressure

J. Beeckmann et al.

FUEL (2014)

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Laminar burning velocity of gasolines with addition of ethanol

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FUEL (2014)

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A wide range kinetic modeling study of pyrolysis and oxidation of benzene

Chiara Saggese et al.

COMBUSTION AND FLAME (2013)

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An experimental and detailed chemical kinetic modeling study of hydrogen and syngas mixture oxidation at elevated pressures

Alan Keromnes et al.

COMBUSTION AND FLAME (2013)

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A Hierarchical and Comparative Kinetic Modeling Study of C1 - C2 Hydrocarbon and Oxygenated Fuels

Wayne K. Metcalfe et al.

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS (2013)

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Single Pulse Shock Tube Study of Allyl Radical Recombination

Aleksandr Fridlyand et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2013)

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Formation Mechanism of Polycyclic Aromatic Hydrocarbons beyond the Second Aromatic Ring

V. V. Kislov et al.

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Dissociation of Propyl Radicals and Other Reactions on a C3H7 Potential

James A. Miller et al.

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Isomerization kinetics of benzylic and methylphenyl type radicals in single-ring aromatics

Enoch Dames et al.

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Propagation and extinction of cyclopentadiene flames

Chunsheng Ji et al.

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Hydrogen-assisted isomerizations of fulvene to benzene and of larger cyclic aromatic hydrocarbons

Ahren W. Jasper et al.

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Modeling of two- and three-ring aromatics formation in the pyrolysis of toluene

Akira Matsugi et al.

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The structure of toluene-doped counterflow gaseous diffusion flames

Francesco Carbone et al.

COMBUSTION AND FLAME (2012)

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Exploring formation pathways of aromatic compounds in laboratory-based model flames of aliphatic fuels

N. Hansen et al.

COMBUSTION EXPLOSION AND SHOCK WAVES (2012)

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Computational study on the recombination reaction between benzyl and propargyl radicals

Akira Matsugi et al.

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS (2012)

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Analysis of Some Reaction Pathways Active during Cyclopentadiene Pyrolysis

Carlo Cavallotti et al.

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Low temperature formation of naphthalene and its role in the synthesis of PAHs (Polycyclic Aromatic Hydrocarbons) in the interstellar medium

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SCIENCE (2012)

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On the chemical kinetics of cyclopentadiene oxidation

R. K. Robinson et al.

COMBUSTION AND FLAME (2011)

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Fulvenallene Decomposition Kinetics

Daniela Polino et al.

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Shock Tube and Theoretical Studies on the Thermal Decomposition of Propane: Evidence for a Roaming Radical Channel

R. Sivaramakrishnan et al.

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Reaction of the i-C4H5 (CH2CCHCH2) Radical with O2

Leonhard K. Rutz et al.

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Toluene and benzyl decomposition mechanisms: elementary reactions and kinetic simulations

Marco Derudi et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

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Bay-capping reactions: Kinetics and influence on graphene-edge growth

Xiaoqing You et al.

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Formation of nascent soot and other condensed-phase materials in flames

Hai Wang

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Climate, health, agricultural and economic impacts of tighter vehicle-emission standards

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NATURE CLIMATE CHANGE (2011)

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A comparative experimental and computational study of methanol, ethanol, and n-butanol flames

Peter S. Veloo et al.

COMBUSTION AND FLAME (2010)

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Modeling of 1,3-hexadiene, 2,4-hexadiene and 1,4-hexadiene-doped methane flames: Flame modeling, benzene and styrene formation

Sandeep Sharma et al.

COMBUSTION AND FLAME (2010)

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A consistent chemical mechanism for oxidation of substituted aromatic species

K. Narayanaswamy et al.

COMBUSTION AND FLAME (2010)

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Propagation and extinction of premixed C5-C12 n-alkane flames

Chunsheng Ji et al.

COMBUSTION AND FLAME (2010)

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Comparative High Temperature Shock Tube Ignition of C1-C4 Primary Alcohols

Khalid Emilio Noorani et al.

ENERGY & FUELS (2010)

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Products of the Benzene + O(3P) Reaction

Craig A. Taatjes et al.

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Experimental and Theoretical Investigation of the Self-Reaction of Phenyl Radicals

Robert S. Tranter et al.

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High-Temperature Measurements and a Theoretical Study of the Reaction of OH with 1,3-Butadiene

Subith S. Vasu et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2010)

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Reactions between Resonance-Stabilized Radicals: Propargyl plus Allyl

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JOURNAL OF PHYSICAL CHEMISTRY A (2010)

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Quantitative measurement of soot particle size distribution in premixed flames - The burner-stabilized stagnation flame approach

Aamir D. Abid et al.

COMBUSTION AND FLAME (2009)

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The autoignition of C8H10 aromatics at moderate temperatures and elevated pressures

Hsi-Ping S. Shen et al.

COMBUSTION AND FLAME (2009)

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Chemical mechanism for high temperature combustion of engine relevant fuels with emphasis on soot precursors

G. Blanquart et al.

COMBUSTION AND FLAME (2009)

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Laminar burning velocities at high pressure for primary reference fuels and gasoline: Experimental and numerical investigation

S. Jerzembeck et al.

COMBUSTION AND FLAME (2009)

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The C7H5 Fulvenallenyl Radical as a Combustion Intermediate: Potential New Pathways to Two- and Three-Ring PAHS

Gabriel da Silva et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2009)

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Computed Rate Coefficients and Product Yields for c-C5H5 + CH3 → Products

Sandeep Sharma et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2009)

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The reaction between propene and hydroxyl

Judit Zador et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)

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Cyclopentadiene combustion in a plug flow reactor near 1150 K

Robert G. Butler et al.

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Embedded-ring migration on graphene zigzag edge

Russell Whitesides et al.

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On the mechanism of decomposition of the benzyl radical

Carlo Cavallotti et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2009)

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Autoignition of gasoline surrogate mixtures at intermediate temperatures and high pressures: Experimental and numerical approaches

L. R. Cancino et al.

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Experimental and kinetic modeling study of sooting atmospheric-pressure cyclohexane flame

A. Ciajolo et al.

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Modelling of aromatics and soot formation from large fuel molecules

Caroline Marchal et al.

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A shock tube study of the auto-ignition of toluene/air mixtures at high pressures

Hsi-Ping S. Shen et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2009)

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Kinetic modeling of the benzyl + HO2 reaction

Gabriel da Silva et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2009)

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Benzene formation in premixed fuel-rich 1,3-butadiene flames

Nils Hansen et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2009)

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Autoignition of gasoline surrogates mixtures at intermediate temperatures and high pressures

M. Fikri et al.

COMBUSTION AND FLAME (2008)

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An experimental investigation of ethylene/O2/diluent mixtures:: Laminar flame speeds with preheat and ignition delays at high pressures

Kamal Kumar et al.

COMBUSTION AND FLAME (2008)

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Kinetics of 1,2-dimethylbenzene oxidation and ignition: Experimental and detailed chemical kinetic modeling

Sandro Gail et al.

COMBUSTION SCIENCE AND TECHNOLOGY (2008)

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Reactions over multiple, interconnected potential wells:: Unimolecular and bimolecular reactions on a C3H5 potential

James A. Miller et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

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Graphene layer growth chemistry: Five- and six-member ring flip reaction

Russell Whitesides et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

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Toluene combustion:: reaction paths, thermochemical properties, and kinetic analysis for the methylphenyl radical plus O2 reaction

Gabriel da Silva et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2007)

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Ethane ignition and oxidation behind reflected shock waves

Jaap de Vries et al.

COMBUSTION AND FLAME (2007)

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Laminar burning velocities of propene-air mixtures at elevated temperatures and pressures

K. Saeed et al.

JOURNAL OF THE ENERGY INSTITUTE (2007)

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Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame

N. Hansen et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2007)

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The reaction of n- and i-C4H5 radicals with acetylene

Juan P. Senosiain et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2007)

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Graphene layer growth: Collision of migrating five-member rings

Russell Whitesides et al.

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Oxidation pathways in the reaction of diacetylene with OH radicals

Juan P. Senosiain et al.

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On the formation and decomposition of C7H8

Stephen J. Klippenstein et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2007)

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Oxidation of 1-methylnaphthalene at 1-13 atm: Experimental study in a JSR and detailed chemical kinetic modeling

Karim Mati et al.

COMBUSTION SCIENCE AND TECHNOLOGY (2007)

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Measures of agreement between computation and experiment: Validation metrics

William L. Oberkampf et al.

JOURNAL OF COMPUTATIONAL PHYSICS (2006)

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Experimental and modeling study of the oxidation of xylenes

F Battin-Leclerc et al.

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS (2006)

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Hydrogen abstraction acetylene addition and Diels-Alder mechanisms of PAH formation: A detailed study using first principles calculations

VV Kislov et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)

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The addition of hydrogen atoms to diacetylene and the heats of formation of i-C4H3 and n-C4H3

SJ Klippenstein et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2005)

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Shock tube measurements of toluene ignition times and OH concentration time histories

V Vasudevan et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2005)

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Effect of silane addition on acetylene ignition behind reflected shock waves

MJA Rickard et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2005)

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Laminar burning velocities and Markstein lengths of aromatics at elevated temperature and pressure

RJ Johnston et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2005)

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Experimental determination of counterflow ignition temperatures and laminar flame speeds of C-2-C-3 hydrocarbons at atmospheric and elevated pressures

G Jomaas et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2005)

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Migration mechanism of aromatic-edge growth

M Frenklach et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2005)

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Quantum chemistry investigation of key reactions involved in the formation of naphthalene and indene

S Fascella et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2004)

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The laminar burning velocity of flames propagating in mixtures of hydrocarbons and air measured with the heat flux method

KJ Bosschaart et al.

COMBUSTION AND FLAME (2004)

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The recombination of propargyl radicals and other reactions on a C6H6 potential

JA Miller et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2003)

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Experimental and modeling study of the oxidation of benzene

I Da Costa et al.

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS (2003)

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From the multiple-well master equation to phenomenological rate coefficients:: Reactions on a C3H4 potential energy surface

JA Miller et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2003)

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Kinetic modeling of counterflow diffusion flames of butadiene

S Granata et al.

COMBUSTION AND FLAME (2002)

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Shock-tube and modeling study of diacetylene pyrolysis and oxidation

Y Hidaka et al.

COMBUSTION AND FLAME (2002)

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Outward propagation, burning velocities, and chemical effects of methane flames up to 60 ATM

G Rozenchan et al.

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Determination of laminar flame speeds using digital particle image velocimetry: Binary fuel blends of ethylene, n-butane, and toluene

T Hirasawa et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2002)

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Reaction mechanism of soot formation in flames

M Frenklach

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)

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A reaction pathway for nanoparticle formation in rich premixed flames

A D'Anna et al.

COMBUSTION AND FLAME (2001)

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Strong radiative heating due to the mixing state of black carbon in atmospheric aerosols

MZ Jacobson

NATURE (2001)

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Measurement and modeling of shock-tube ignition delay for propene

ZW Qin et al.

COMBUSTION AND FLAME (2001)

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Benzene oxidation: Experimental results in a JDR and comprehensive kinetic modeling in JSR, shock-tube and flame

A Ristori et al.

COMBUSTION SCIENCE AND TECHNOLOGY (2001)

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Thermodynamic and kinetic issues in the formation and oxidation of aromatic species

P Lindstedt et al.

FARADAY DISCUSSIONS (2001)

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Kinetic modeling of soot formation with detailed chemistry and physics:: Laminar premixed flames of C2 hydrocarbons

J Appel et al.

COMBUSTION AND FLAME (2000)

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Modeling the rich combustion of aliphatic hydrocarbons

A D'Anna et al.

COMBUSTION AND FLAME (2000)

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Fuel-rich flame chemistry in low-pressure cyclopentene flames

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PROCEEDINGS OF THE COMBUSTION INSTITUTE (2000)

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